Mol:FL5FFCGL0003
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 56 61 0 0 0 0 0 0 0 0999 V2000 | + | 56 61 0 0 0 0 0 0 0 0999 V2000 |
− | -2.7546 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7546 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7546 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7546 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0400 -0.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0400 -0.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -2.0400 1.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0400 1.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 0.1035 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1035 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 1.0032 1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0032 1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7315 1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7315 1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4598 1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4598 1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4598 2.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4598 2.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7315 2.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7315 2.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0032 2.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0032 2.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0400 -1.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0400 -1.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2391 2.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2391 2.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6080 1.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6080 1.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7149 -0.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7149 -0.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7315 3.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7315 3.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3792 -1.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3792 -1.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5867 -1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5867 -1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0086 -1.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0086 -1.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 1.9669 -2.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9669 -2.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7376 -3.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7376 -3.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0024 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0024 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5183 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5183 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2614 -0.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2614 -0.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9782 -0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9782 -0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4572 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4572 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8073 -0.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8073 -0.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9836 -0.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9836 -0.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9153 -1.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9153 -1.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3836 -0.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3836 -0.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0400 2.0886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0400 2.0886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2196 3.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2196 3.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1215 2.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1215 2.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3935 2.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3935 2.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8161 2.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8161 2.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9923 2.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9923 2.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6709 2.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6709 2.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.9032 3.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9032 3.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.7237 2.8701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7237 2.8701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1341 1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1341 1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1338 -3.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1338 -3.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1411 -4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1411 -4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8082 3.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8082 3.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1660 4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1660 4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1539 0.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1539 0.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.9032 0.8573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9032 0.8573 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 |
− | 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
− | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
− | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
− | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
− | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
− | 24 21 1 0 0 0 0 | + | 24 21 1 0 0 0 0 |
− | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
− | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
− | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
− | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
− | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
− | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
− | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
− | 6 41 1 0 0 0 0 | + | 6 41 1 0 0 0 0 |
− | 42 43 1 1 0 0 0 | + | 42 43 1 1 0 0 0 |
− | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
− | 45 44 1 1 0 0 0 | + | 45 44 1 1 0 0 0 |
− | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
− | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
− | 47 42 1 0 0 0 0 | + | 47 42 1 0 0 0 0 |
− | 42 48 1 0 0 0 0 | + | 42 48 1 0 0 0 0 |
− | 43 49 1 0 0 0 0 | + | 43 49 1 0 0 0 0 |
− | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
− | 41 45 1 0 0 0 0 | + | 41 45 1 0 0 0 0 |
− | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
− | 26 51 1 0 0 0 0 | + | 26 51 1 0 0 0 0 |
− | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
− | 47 53 1 0 0 0 0 | + | 47 53 1 0 0 0 0 |
− | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
− | 36 55 1 0 0 0 0 | + | 36 55 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 51 52 | + | M SAL 1 2 51 52 |
− | M SBL 1 1 57 | + | M SBL 1 1 57 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 57 -0.1375 0.9183 | + | M SBV 1 57 -0.1375 0.9183 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 53 54 | + | M SAL 2 2 53 54 |
− | M SBL 2 1 59 | + | M SBL 2 1 59 |
− | M SMT 2 ^ CH2OH | + | M SMT 2 ^ CH2OH |
− | M SBV 2 59 0.1373 -0.8442 | + | M SBV 2 59 0.1373 -0.8442 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 55 56 | + | M SAL 3 2 55 56 |
− | M SBL 3 1 61 | + | M SBL 3 1 61 |
− | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
− | M SBV 3 61 -0.6967 -0.1568 | + | M SBV 3 61 -0.6967 -0.1568 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FFCGL0003 | + | ID FL5FFCGL0003 |
− | FORMULA C33H40O23 | + | FORMULA C33H40O23 |
− | EXACTMASS 804.196037586 | + | EXACTMASS 804.196037586 |
− | AVERAGEMASS 804.6569 | + | AVERAGEMASS 804.6569 |
− | SMILES OC(C(CO)1)C(O)C(O)C(OC(C6O)C(OC(C6O)CO)OC(C(=O)4)=C(c(c5)ccc(c(O)5)O)Oc(c24)c(OC(O3)C(C(C(O)C3CO)O)O)c(cc(O)2)O)O1 | + | SMILES OC(C(CO)1)C(O)C(O)C(OC(C6O)C(OC(C6O)CO)OC(C(=O)4)=C(c(c5)ccc(c(O)5)O)Oc(c24)c(OC(O3)C(C(C(O)C3CO)O)O)c(cc(O)2)O)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 56 61 0 0 0 0 0 0 0 0999 V2000 -2.7546 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7546 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 -0.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3255 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3255 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 1.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -0.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1035 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1035 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 1.2638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -1.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0032 1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7315 1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4598 1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4598 2.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7315 2.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0032 2.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 -1.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2391 2.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 1.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7149 -0.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7315 3.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -1.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5867 -1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0086 -1.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9964 -2.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7889 -2.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3669 -2.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2571 -0.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9669 -2.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7376 -3.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0024 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5183 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2614 -0.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9782 -0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4572 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8073 -0.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9836 -0.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9153 -1.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3836 -0.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 2.0886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2196 3.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1215 2.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3935 2.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8161 2.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9923 2.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6709 2.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9032 3.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7237 2.8701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1341 1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1338 -3.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1411 -4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8082 3.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1539 0.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9032 0.8573 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 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 0 0 0 16 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 24 21 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 33 38 1 0 0 0 0 34 39 1 0 0 0 0 35 40 1 0 0 0 0 29 32 1 0 0 0 0 6 41 1 0 0 0 0 42 43 1 1 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 42 1 0 0 0 0 42 48 1 0 0 0 0 43 49 1 0 0 0 0 44 50 1 0 0 0 0 41 45 1 0 0 0 0 51 52 1 0 0 0 0 26 51 1 0 0 0 0 53 54 1 0 0 0 0 47 53 1 0 0 0 0 55 56 1 0 0 0 0 36 55 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 51 52 M SBL 1 1 57 M SMT 1 CH2OH M SBV 1 57 -0.1375 0.9183 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 53 54 M SBL 2 1 59 M SMT 2 ^ CH2OH M SBV 2 59 0.1373 -0.8442 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 55 56 M SBL 3 1 61 M SMT 3 CH2OH M SBV 3 61 -0.6967 -0.1568 S SKP 5 ID FL5FFCGL0003 FORMULA C33H40O23 EXACTMASS 804.196037586 AVERAGEMASS 804.6569 SMILES OC(C(CO)1)C(O)C(O)C(OC(C6O)C(OC(C6O)CO)OC(C(=O)4)=C(c(c5)ccc(c(O)5)O)Oc(c24)c(OC(O3)C(C(C(O)C3CO)O)O)c(cc(O)2)O)O1 M END