Mol:FL5FACGL0023
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 |
− | -3.0656 1.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0656 1.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0656 1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0656 1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3644 0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3644 0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6632 1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6632 1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6632 1.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6632 1.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3644 2.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3644 2.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9620 0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9620 0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2608 1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2608 1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2608 1.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2608 1.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9620 2.3504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9620 2.3504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9481 -0.0206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9481 -0.0206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4402 2.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4402 2.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1549 1.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1549 1.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8695 2.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8695 2.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8695 3.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8695 3.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1549 3.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1549 3.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4402 3.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4402 3.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7666 2.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7666 2.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4644 0.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4644 0.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3644 -0.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3644 -0.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0647 -0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0647 -0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6416 -1.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6416 -1.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4554 -1.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4554 -1.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2741 -1.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2741 -1.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6973 -0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6973 -0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8834 -0.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8834 -0.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2788 -0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2788 -0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5122 1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5122 1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0891 0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0891 0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9029 0.7137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9029 0.7137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7216 0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7216 0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1449 1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1449 1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3309 0.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3309 0.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7691 1.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7691 1.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6661 1.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6661 1.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7666 1.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7666 1.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4258 0.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4258 0.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6276 -0.0286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6276 -0.0286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1139 -1.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1139 -1.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9648 -1.8923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9648 -1.8923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2741 -2.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2741 -2.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6686 3.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6686 3.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1549 4.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1549 4.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8263 -2.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8263 -2.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4032 -3.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4032 -3.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2169 -3.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2169 -3.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0355 -3.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0355 -3.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4588 -2.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4588 -2.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6450 -3.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6450 -3.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0404 -3.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0404 -3.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8754 -3.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8754 -3.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7676 -4.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7676 -4.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0355 -4.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0355 -4.4132 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 15 1 0 0 0 0 | + | 42 15 1 0 0 0 0 |
− | 16 43 1 0 0 0 0 | + | 16 43 1 0 0 0 0 |
− | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
− | 45 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
− | 46 47 1 1 0 0 0 | + | 46 47 1 1 0 0 0 |
− | 48 47 1 1 0 0 0 | + | 48 47 1 1 0 0 0 |
− | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
− | 49 44 1 0 0 0 0 | + | 49 44 1 0 0 0 0 |
− | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
− | 45 51 1 0 0 0 0 | + | 45 51 1 0 0 0 0 |
− | 46 52 1 0 0 0 0 | + | 46 52 1 0 0 0 0 |
− | 47 53 1 0 0 0 0 | + | 47 53 1 0 0 0 0 |
− | 48 41 1 0 0 0 0 | + | 48 41 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FACGL0023 | + | ID FL5FACGL0023 |
− | FORMULA C33H40O20 | + | FORMULA C33H40O20 |
− | EXACTMASS 756.21129372 | + | EXACTMASS 756.21129372 |
− | AVERAGEMASS 756.6587 | + | AVERAGEMASS 756.6587 |
− | SMILES c(c51)(OC(c(c6)ccc(O)c6O)=C(C5=O)OC(O2)C(C(C(O)C2COC(O3)C(OC(C4O)OC(C(C4O)O)C)C(O)C(C(C)3)O)O)O)cc(cc(O)1)O | + | SMILES c(c51)(OC(c(c6)ccc(O)c6O)=C(C5=O)OC(O2)C(C(C(O)C2COC(O3)C(OC(C4O)OC(C(C4O)O)C)C(O)C(C(C)3)O)O)O)cc(cc(O)1)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 -3.0656 1.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0656 1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3644 0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6632 1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6632 1.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3644 2.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 1.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 2.3504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9481 -0.0206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4402 2.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1549 1.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8695 2.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8695 3.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1549 3.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4402 3.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7666 2.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4644 0.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3644 -0.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0647 -0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6416 -1.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4554 -1.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2741 -1.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6973 -0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8834 -0.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2788 -0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5122 1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0891 0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9029 0.7137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7216 0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1449 1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3309 0.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 1.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6661 1.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7666 1.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4258 0.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 -0.0286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1139 -1.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9648 -1.8923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2741 -2.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6686 3.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1549 4.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8263 -2.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4032 -3.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2169 -3.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0355 -3.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4588 -2.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 -3.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0404 -3.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8754 -3.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7676 -4.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0355 -4.4132 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 15 1 0 0 0 0 16 43 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 1 0 0 0 46 47 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 52 1 0 0 0 0 47 53 1 0 0 0 0 48 41 1 0 0 0 0 S SKP 5 ID FL5FACGL0023 FORMULA C33H40O20 EXACTMASS 756.21129372 AVERAGEMASS 756.6587 SMILES c(c51)(OC(c(c6)ccc(O)c6O)=C(C5=O)OC(O2)C(C(C(O)C2COC(O3)C(OC(C4O)OC(C(C4O)O)C)C(O)C(C(C)3)O)O)O)cc(cc(O)1)O M END