Mol:FL7AACGL0057
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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| − | -0.7704 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7704 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5169 2.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5169 2.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.7228 0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7228 0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7228 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7228 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.9909 2.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9909 2.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2301 3.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2301 3.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4691 2.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4691 2.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0098 2.0324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0098 2.0324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7517 3.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7517 3.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5169 -0.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5169 -0.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6596 0.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6596 0.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7727 0.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7727 0.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.9263 -0.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9263 -0.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3301 0.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3301 0.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5538 0.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5538 0.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 5.0546 0.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0546 0.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.7771 -0.4035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7771 -0.4035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -5.0546 -0.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0546 -0.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5225 -1.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5225 -1.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4.9843 -0.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9843 -0.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.8528 -1.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8528 -1.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.6884 -1.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6884 -1.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3003 -1.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3003 -1.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6884 -2.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6884 -2.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4647 -2.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4647 -2.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6091 -1.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6091 -1.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9926 -1.9518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9926 -1.9518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3008 -3.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3008 -3.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4792 -3.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4792 -3.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8587 -3.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8587 -3.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1414 -3.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1414 -3.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6594 -3.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6594 -3.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0477 -3.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0477 -3.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5798 -3.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5798 -3.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1879 -3.4090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1879 -3.4090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7515 -3.7324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7515 -3.7324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5459 -4.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5459 -4.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2301 4.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2301 4.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0122 -0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0122 -0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4254 1.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4254 1.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2234 -2.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2234 -2.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2096 -3.7488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2096 -3.7488 0.0000 O 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 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 19 1 0 0 0 0 | + | 34 19 1 0 0 0 0 |
| − | 30 40 1 0 0 0 0 | + | 30 40 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 42 43 2 0 0 0 0 | + | 42 43 2 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 47 2 0 0 0 0 | + | 46 47 2 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 2 0 0 0 0 | + | 48 49 2 0 0 0 0 |
| − | 49 44 1 0 0 0 0 | + | 49 44 1 0 0 0 0 |
| − | 47 50 1 0 0 0 0 | + | 47 50 1 0 0 0 0 |
| − | 41 51 2 0 0 0 0 | + | 41 51 2 0 0 0 0 |
| − | 48 52 1 0 0 0 0 | + | 48 52 1 0 0 0 0 |
| − | 53 54 1 1 0 0 0 | + | 53 54 1 1 0 0 0 |
| − | 54 55 1 1 0 0 0 | + | 54 55 1 1 0 0 0 |
| − | 56 55 1 1 0 0 0 | + | 56 55 1 1 0 0 0 |
| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 58 53 1 0 0 0 0 | + | 58 53 1 0 0 0 0 |
| − | 53 59 1 0 0 0 0 | + | 53 59 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 52 1 0 0 0 0 | + | 56 52 1 0 0 0 0 |
| − | 15 62 1 0 0 0 0 | + | 15 62 1 0 0 0 0 |
| − | 63 64 1 0 0 0 0 | + | 63 64 1 0 0 0 0 |
| − | 36 63 1 0 0 0 0 | + | 36 63 1 0 0 0 0 |
| − | 65 66 1 0 0 0 0 | + | 65 66 1 0 0 0 0 |
| − | 58 65 1 0 0 0 0 | + | 58 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 0.6076 -0.6404 | + | M SBV 1 70 0.6076 -0.6404 |
| − | 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 ^ CH2OH | + | M SMT 2 ^ CH2OH |
| − | M SBV 2 72 0.6436 -0.4739 | + | M SBV 2 72 0.6436 -0.4739 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGL0057 | + | ID FL7AACGL0057 |
| − | FORMULA C42H47O24 | + | FORMULA C42H47O24 |
| − | EXACTMASS 935.245727432 | + | EXACTMASS 935.245727432 |
| − | AVERAGEMASS 935.80818 | + | AVERAGEMASS 935.80818 |
| − | SMILES c(c(c7)ccc(O)c7O)(c(OC(O4)C(C(C(O)C(COC(C=Cc(c5)ccc(c(OC(O6)C(C(O)C(O)C6CO)O)5)O)=O)4)O)O)3)[o+1]c(c2)c(c3)c(cc(O)2)OC(O1)C(C(O)C(C1CO)O)O | + | SMILES c(c(c7)ccc(O)c7O)(c(OC(O4)C(C(C(O)C(COC(C=Cc(c5)ccc(c(OC(O6)C(C(O)C(O)C6CO)O)5)O)=O)4)O)O)3)[o+1]c(c2)c(c3)c(cc(O)2)OC(O1)C(C(O)C(C1CO)O)O |
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
-2.2635 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2635 0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5169 0.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7704 0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7704 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5169 2.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0238 0.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7228 0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7228 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0238 2.0326 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.4691 2.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2301 1.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9909 2.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9909 2.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2301 3.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4691 2.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0098 2.0324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7517 3.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5169 -0.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6596 0.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7727 0.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3690 -0.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1454 0.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9263 -0.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 0.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5538 0.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1204 0.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0647 1.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0546 0.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6886 0.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3042 -0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6837 -1.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9664 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.1827 -1.4404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9843 -0.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5959 -1.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9044 -1.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5095 -1.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8528 -1.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4647 -1.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6884 -1.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3003 -1.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6884 -2.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4647 -2.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6091 -1.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9926 -1.9518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3008 -3.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4792 -3.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8587 -3.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1414 -3.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6594 -3.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0477 -3.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5798 -3.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1879 -3.4090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7515 -3.7324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5459 -4.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2301 4.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0122 -0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4254 1.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2234 -2.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2096 -3.7488 0.0000 O 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
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
22 20 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 19 1 0 0 0 0
30 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 2 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
49 44 1 0 0 0 0
47 50 1 0 0 0 0
41 51 2 0 0 0 0
48 52 1 0 0 0 0
53 54 1 1 0 0 0
54 55 1 1 0 0 0
56 55 1 1 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 53 1 0 0 0 0
53 59 1 0 0 0 0
54 60 1 0 0 0 0
55 61 1 0 0 0 0
56 52 1 0 0 0 0
15 62 1 0 0 0 0
63 64 1 0 0 0 0
36 63 1 0 0 0 0
65 66 1 0 0 0 0
58 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 0.6076 -0.6404
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 65 66
M SBL 2 1 72
M SMT 2 ^ CH2OH
M SBV 2 72 0.6436 -0.4739
S SKP 5
ID FL7AACGL0057
FORMULA C42H47O24
EXACTMASS 935.245727432
AVERAGEMASS 935.80818
SMILES c(c(c7)ccc(O)c7O)(c(OC(O4)C(C(C(O)C(COC(C=Cc(c5)ccc(c(OC(O6)C(C(O)C(O)C6CO)O)5)O)=O)4)O)O)3)[o+1]c(c2)c(c3)c(cc(O)2)OC(O1)C(C(O)C(C1CO)O)O
M END
