Mol:FL5FAAGL0050
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 53 58 0 0 0 0 0 0 0 0999 V2000 | + | 53 58 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.1457 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1457 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1457 -0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1457 -0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4446 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4446 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7435 -0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7435 -0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7435 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7435 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4446 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4446 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0424 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0424 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3413 -0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3413 -0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3413 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3413 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0424 0.5954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0424 0.5954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0424 -1.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0424 -1.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6404 0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6404 0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0742 0.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0742 0.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7887 0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7887 0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7887 1.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7887 1.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0742 1.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0742 1.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6404 1.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6404 1.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8466 0.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8466 0.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4925 -1.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4925 -1.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4446 -1.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4446 -1.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5202 -2.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5202 -2.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0971 -3.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0971 -3.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9108 -2.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9108 -2.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7292 -3.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7292 -3.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1525 -2.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1525 -2.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3388 -2.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3388 -2.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7367 -2.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7367 -2.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5759 -0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5759 -0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1528 -1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1528 -1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9665 -1.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9665 -1.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7849 -1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7849 -1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2081 -0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2081 -0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3752 -0.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3752 -0.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1673 -0.6496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1673 -0.6496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9990 -0.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9990 -0.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9515 -0.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9515 -0.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6318 -1.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6318 -1.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0801 -1.7599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0801 -1.7599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4655 -2.9005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4655 -2.9005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3790 -3.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3790 -3.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7292 -3.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7292 -3.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2445 2.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2445 2.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8021 1.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8021 1.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6050 1.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6050 1.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3798 1.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3798 1.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8168 2.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8168 2.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1144 2.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1144 2.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4727 1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4727 1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1817 1.5908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1817 1.5908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2933 1.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2933 1.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8466 2.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8466 2.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6071 2.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6071 2.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3709 3.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3709 3.7947 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 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 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 19 1 0 0 0 0 | + | 29 19 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 |
| − | 48 15 1 0 0 0 0 | + | 48 15 1 0 0 0 0 |
| − | 45 51 1 0 0 0 0 | + | 45 51 1 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 46 52 1 0 0 0 0 | + | 46 52 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 52 53 | + | M SAL 1 2 52 53 |
| − | M SBL 1 1 58 | + | M SBL 1 1 58 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 58 -0.7903 -0.0591 | + | M SBV 1 58 -0.7903 -0.0591 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGL0050 | + | ID FL5FAAGL0050 |
| − | FORMULA C33H40O20 | + | FORMULA C33H40O20 |
| − | EXACTMASS 756.21129372 | + | EXACTMASS 756.21129372 |
| − | AVERAGEMASS 756.6587 | + | AVERAGEMASS 756.6587 |
| − | SMILES OC(C1OC(=C4c(c5)ccc(OC(O6)C(C(C(O)C6CO)O)O)c5)C(c(c3O)c(O4)cc(c3)O)=O)C(C(C(COC(O2)C(C(C(O)C2C)O)O)O1)O)O | + | SMILES OC(C1OC(=C4c(c5)ccc(OC(O6)C(C(C(O)C6CO)O)O)c5)C(c(c3O)c(O4)cc(c3)O)=O)C(C(C(COC(O2)C(C(C(O)C2C)O)O)O1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-4.1457 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1457 -0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4446 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7435 -0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7435 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4446 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0424 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3413 -0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3413 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0424 0.5954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0424 -1.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6404 0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0742 0.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7887 0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7887 1.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0742 1.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6404 1.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8466 0.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4925 -1.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4446 -1.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5202 -2.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0971 -3.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9108 -2.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7292 -3.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1525 -2.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3388 -2.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7367 -2.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5759 -0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1528 -1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9665 -1.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7849 -1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2081 -0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3752 -0.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1673 -0.6496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9990 -0.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9515 -0.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6318 -1.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0801 -1.7599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4655 -2.9005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3790 -3.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7292 -3.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2445 2.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8021 1.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6050 1.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3798 1.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8168 2.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1144 2.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4727 1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1817 1.5908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2933 1.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8466 2.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6071 2.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3709 3.7947 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 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 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 19 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
48 15 1 0 0 0 0
45 51 1 0 0 0 0
52 53 1 0 0 0 0
46 52 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 52 53
M SBL 1 1 58
M SMT 1 CH2OH
M SBV 1 58 -0.7903 -0.0591
S SKP 5
ID FL5FAAGL0050
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES OC(C1OC(=C4c(c5)ccc(OC(O6)C(C(C(O)C6CO)O)O)c5)C(c(c3O)c(O4)cc(c3)O)=O)C(C(C(COC(O2)C(C(C(O)C2C)O)O)O1)O)O
M END
