Mol:FL7AAHGL0015
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 66 72 0 0 0 0 0 0 0 0999 V2000 | + | 66 72 0 0 0 0 0 0 0 0999 V2000 |
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| − | -2.3197 0.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3197 0.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.8823 0.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8823 0.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.5551 0.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5551 0.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5550 0.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5550 0.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.2734 1.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2734 1.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0058 0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0058 0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7382 1.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7382 1.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7382 2.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7382 2.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0058 2.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0058 2.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.0380 1.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0380 1.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4547 2.6234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4547 2.6234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.3302 -1.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3302 -1.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9836 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9836 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6500 -2.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6500 -2.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3204 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3204 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6671 -1.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6671 -1.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.0016 -0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0016 -0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6679 -0.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6679 -0.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3383 -0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3383 -0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6850 0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6850 0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0185 -0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0185 -0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5899 0.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5899 0.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3991 0.3913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3991 0.3913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3082 0.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3082 0.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0176 -0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0176 -0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4800 -0.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4800 -0.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.2872 -3.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2872 -3.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.2872 -4.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2872 -4.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4571 -4.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4571 -4.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5313 -3.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5313 -3.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.5490 -1.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5490 -1.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8585 -1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8585 -1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1923 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1923 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6766 -0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6766 -0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2806 -1.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2806 -1.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6671 -1.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6671 -1.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2478 -1.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2478 -1.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1728 -1.9496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1728 -1.9496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8439 -0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8439 -0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5975 0.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5975 0.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0058 3.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0058 3.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5760 4.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5760 4.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 25 38 1 0 0 0 0 | + | 25 38 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
| − | 23 40 1 0 0 0 0 | + | 23 40 1 0 0 0 0 |
| − | 24 41 1 0 0 0 0 | + | 24 41 1 0 0 0 0 |
| − | 29 20 1 0 0 0 0 | + | 29 20 1 0 0 0 0 |
| − | 13 42 1 0 0 0 0 | + | 13 42 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 43 45 1 0 0 0 0 | + | 43 45 1 0 0 0 0 |
| − | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 2 0 0 0 0 | + | 49 50 2 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 51 52 2 0 0 0 0 | + | 51 52 2 0 0 0 0 |
| − | 52 47 1 0 0 0 0 | + | 52 47 1 0 0 0 0 |
| − | 50 53 1 0 0 0 0 | + | 50 53 1 0 0 0 0 |
| − | 43 39 1 0 0 0 0 | + | 43 39 1 0 0 0 0 |
| − | 54 55 1 1 0 0 0 | + | 54 55 1 1 0 0 0 |
| − | 55 56 1 1 0 0 0 | + | 55 56 1 1 0 0 0 |
| − | 57 56 1 1 0 0 0 | + | 57 56 1 1 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 58 59 1 0 0 0 0 | + | 58 59 1 0 0 0 0 |
| − | 59 54 1 0 0 0 0 | + | 59 54 1 0 0 0 0 |
| − | 54 60 1 0 0 0 0 | + | 54 60 1 0 0 0 0 |
| − | 55 61 1 0 0 0 0 | + | 55 61 1 0 0 0 0 |
| − | 56 62 1 0 0 0 0 | + | 56 62 1 0 0 0 0 |
| − | 57 19 1 0 0 0 0 | + | 57 19 1 0 0 0 0 |
| − | 63 64 1 0 0 0 0 | + | 63 64 1 0 0 0 0 |
| − | 59 63 1 0 0 0 0 | + | 59 63 1 0 0 0 0 |
| − | 65 66 1 0 0 0 0 | + | 65 66 1 0 0 0 0 |
| − | 15 65 1 0 0 0 0 | + | 15 65 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 63 64 | + | M SAL 1 2 63 64 |
| − | M SBL 1 1 70 | + | M SBL 1 1 70 |
| − | M SMT 1 ^ CH2OH | + | M SMT 1 ^ CH2OH |
| − | M SBV 1 70 0.5633 -0.5754 | + | M SBV 1 70 0.5633 -0.5754 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 65 66 | + | M SAL 2 2 65 66 |
| − | M SBL 2 1 72 | + | M SBL 2 1 72 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 72 0.0000 -0.6740 | + | M SBV 2 72 0.0000 -0.6740 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAHGL0015 | + | ID FL7AAHGL0015 |
| − | FORMULA C43H49O23 | + | FORMULA C43H49O23 |
| − | EXACTMASS 933.266462874 | + | EXACTMASS 933.266462874 |
| − | AVERAGEMASS 933.83536 | + | AVERAGEMASS 933.83536 |
| − | SMILES O(C(C7O)OC(C(C7O)OC(C=Cc(c6)ccc(O)c6)=O)C)CC(C(O)1)OC(Oc(c2)c(c(c5)cc(OC)c(c5O)O)[o+1]c(c4)c2c(cc4O)OC(O3)C(C(C(O)C(CO)3)O)O)C(O)C(O)1 | + | SMILES O(C(C7O)OC(C(C7O)OC(C=Cc(c6)ccc(O)c6)=O)C)CC(C(O)1)OC(Oc(c2)c(c(c5)cc(OC)c(c5O)O)[o+1]c(c4)c2c(cc4O)OC(O3)C(C(C(O)C(CO)3)O)O)C(O)C(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
66 72 0 0 0 0 0 0 0 0999 V2000
-2.3197 0.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3197 0.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6009 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8823 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8823 0.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6009 1.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1636 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5551 0.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5550 0.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1637 1.3642 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.2734 1.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0058 0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7382 1.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7382 2.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0058 2.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2734 2.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0380 1.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4547 2.6234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6009 -1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3391 -0.3680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3302 -1.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9836 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6500 -2.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3204 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6671 -1.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0006 -1.8749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6232 -1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3481 0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0016 -0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6679 -0.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3383 -0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6850 0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0185 -0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5899 0.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3991 0.3913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3082 0.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0176 -0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4800 -0.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3459 -2.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5946 -2.7284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3204 -2.8694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4704 0.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8984 -2.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5133 -3.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1026 -2.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7067 -3.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0422 -3.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4572 -3.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2872 -3.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7021 -3.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2872 -4.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4571 -4.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5313 -3.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0286 -1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5490 -1.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8585 -1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1923 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6766 -0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2806 -1.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6671 -1.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2478 -1.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-3.8439 -0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5975 0.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0058 3.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5760 4.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 20 1 0 0 0 0
13 42 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 47 1 0 0 0 0
50 53 1 0 0 0 0
43 39 1 0 0 0 0
54 55 1 1 0 0 0
55 56 1 1 0 0 0
57 56 1 1 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 54 1 0 0 0 0
54 60 1 0 0 0 0
55 61 1 0 0 0 0
56 62 1 0 0 0 0
57 19 1 0 0 0 0
63 64 1 0 0 0 0
59 63 1 0 0 0 0
65 66 1 0 0 0 0
15 65 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 63 64
M SBL 1 1 70
M SMT 1 ^ CH2OH
M SBV 1 70 0.5633 -0.5754
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 65 66
M SBL 2 1 72
M SMT 2 OCH3
M SBV 2 72 0.0000 -0.6740
S SKP 5
ID FL7AAHGL0015
FORMULA C43H49O23
EXACTMASS 933.266462874
AVERAGEMASS 933.83536
SMILES O(C(C7O)OC(C(C7O)OC(C=Cc(c6)ccc(O)c6)=O)C)CC(C(O)1)OC(Oc(c2)c(c(c5)cc(OC)c(c5O)O)[o+1]c(c4)c2c(cc4O)OC(O3)C(C(C(O)C(CO)3)O)O)C(O)C(O)1
M END
