Mol:FL5FACGL0025
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 52 57 0 0 0 0 0 0 0 0999 V2000 | + | 52 57 0 0 0 0 0 0 0 0999 V2000 |
− | -3.3252 1.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3252 1.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3252 0.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3252 0.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6242 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6242 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9232 0.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9232 0.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9232 1.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9232 1.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6242 1.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6242 1.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2222 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2222 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5212 0.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5212 0.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5212 1.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5212 1.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2222 1.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2222 1.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2222 -0.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2222 -0.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1796 1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1796 1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8941 1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8941 1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6086 1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6086 1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6086 2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6086 2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8941 3.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8941 3.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1796 2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1796 2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0260 1.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0260 1.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3331 0.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3331 0.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6242 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6242 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4074 3.2133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4074 3.2133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8184 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8184 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0840 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0840 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3170 -1.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3170 -1.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0840 -2.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0840 -2.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8089 -2.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8089 -2.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5854 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5854 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7302 -0.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7302 -0.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1670 -1.9910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1670 -1.9910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6300 -3.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6300 -3.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3723 0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3723 0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0181 -0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0181 -0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0219 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0219 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7157 0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7157 0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4369 0.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4369 0.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0181 0.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0181 0.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0219 0.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0219 0.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8941 3.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8941 3.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2916 -2.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2916 -2.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8139 -3.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8139 -3.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8998 -3.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8998 -3.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5569 -3.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5569 -3.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7814 -2.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7814 -2.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6957 -2.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6957 -2.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0386 -2.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0386 -2.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6767 -1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6767 -1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1411 -1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1411 -1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8731 -2.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8731 -2.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4259 -3.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4259 -3.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1992 -3.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1992 -3.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0219 -0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0219 -0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0260 -0.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0260 -0.9734 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 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
− | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
− | 23 19 1 0 0 0 0 | + | 23 19 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 31 1 0 0 0 0 | + | 35 31 1 0 0 0 0 |
− | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
− | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
− | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
− | 16 38 1 0 0 0 0 | + | 16 38 1 0 0 0 0 |
− | 25 39 1 0 0 0 0 | + | 25 39 1 0 0 0 0 |
− | 41 40 1 1 0 0 0 | + | 41 40 1 1 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
− | 45 40 1 1 0 0 0 | + | 45 40 1 1 0 0 0 |
− | 44 46 1 0 0 0 0 | + | 44 46 1 0 0 0 0 |
− | 43 47 1 0 0 0 0 | + | 43 47 1 0 0 0 0 |
− | 45 48 1 0 0 0 0 | + | 45 48 1 0 0 0 0 |
− | 40 49 1 0 0 0 0 | + | 40 49 1 0 0 0 0 |
− | 41 50 1 0 0 0 0 | + | 41 50 1 0 0 0 0 |
− | 50 39 1 0 0 0 0 | + | 50 39 1 0 0 0 0 |
− | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
− | 33 51 1 0 0 0 0 | + | 33 51 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 0.0000 0.5794 | + | M SBV 1 57 0.0000 0.5794 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FACGL0025 | + | ID FL5FACGL0025 |
− | FORMULA C32H38O20 | + | FORMULA C32H38O20 |
− | EXACTMASS 742.1956436559999 | + | EXACTMASS 742.1956436559999 |
− | AVERAGEMASS 742.63212 | + | AVERAGEMASS 742.63212 |
− | SMILES c(c6O)(O)cc(cc6)C(=C2OC(C4OC(O5)C(C(O)(CO)C5)O)OC(C(C(O)4)O)COC(C(O)3)OC(C)C(O)C(O)3)Oc(c1)c(C2=O)c(cc(O)1)O | + | SMILES c(c6O)(O)cc(cc6)C(=C2OC(C4OC(O5)C(C(O)(CO)C5)O)OC(C(C(O)4)O)COC(C(O)3)OC(C)C(O)C(O)3)Oc(c1)c(C2=O)c(cc(O)1)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 52 57 0 0 0 0 0 0 0 0999 V2000 -3.3252 1.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3252 0.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6242 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9232 0.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9232 1.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6242 1.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5212 0.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5212 1.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 1.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 -0.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1796 1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8941 1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6086 1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6086 2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8941 3.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1796 2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0260 1.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3331 0.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6242 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4074 3.2133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8184 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -1.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -2.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8089 -2.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5854 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7302 -0.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -1.9910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -3.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3723 0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0181 -0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0219 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7157 0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4369 0.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0181 0.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0219 0.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8941 3.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2916 -2.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8139 -3.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8998 -3.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5569 -3.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7814 -2.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6957 -2.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0386 -2.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6767 -1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1411 -1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8731 -2.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4259 -3.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1992 -3.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0219 -0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0260 -0.9734 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 15 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 19 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 31 1 0 0 0 0 32 36 1 0 0 0 0 33 37 1 0 0 0 0 28 31 1 0 0 0 0 16 38 1 0 0 0 0 25 39 1 0 0 0 0 41 40 1 1 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 1 0 0 0 45 40 1 1 0 0 0 44 46 1 0 0 0 0 43 47 1 0 0 0 0 45 48 1 0 0 0 0 40 49 1 0 0 0 0 41 50 1 0 0 0 0 50 39 1 0 0 0 0 51 52 1 0 0 0 0 33 51 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 0.0000 0.5794 S SKP 5 ID FL5FACGL0025 FORMULA C32H38O20 EXACTMASS 742.1956436559999 AVERAGEMASS 742.63212 SMILES c(c6O)(O)cc(cc6)C(=C2OC(C4OC(O5)C(C(O)(CO)C5)O)OC(C(C(O)4)O)COC(C(O)3)OC(C)C(O)C(O)3)Oc(c1)c(C2=O)c(cc(O)1)O M END