Mol:FL3FAAGS0061
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 53 58 0 0 0 0 0 0 0 0999 V2000 -0.2928 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2928 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4217 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1362 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1362 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4217 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8506 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5651 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5651 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8506 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2796 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9941 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7085 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7085 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9941 1.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2796 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8506 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4217 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0072 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4548 1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3137 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1373 -0.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3046 0.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8604 0.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0368 0.9311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8693 0.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2748 0.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8134 -0.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5318 -1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7058 -0.7219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8017 -0.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5779 0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0715 -0.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3092 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4922 -0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9985 0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7609 0.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9813 0.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 1.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9555 -0.0524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4668 -0.1561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -0.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4828 -0.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9764 -0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2141 -0.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3971 -0.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9034 0.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6658 -0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8862 0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3119 0.6144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8604 -0.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3717 -0.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7769 -1.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 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 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 7 17 2 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 14 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 20 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 37 38 1 0 0 0 0 38 39 1 0 0 0 0 32 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 43 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 43 51 1 0 0 0 0 44 52 1 0 0 0 0 45 53 1 0 0 0 0 46 40 1 0 0 0 0 19 35 1 0 0 0 0 S SKP 8 ID FL3FAAGS0061 KNApSAcK_ID C00013611 NAME Apigenin 7-cellobioside-4'-glucoside;5,7,4'-Trihydroxyflavone 7-cellobioside-4'-glucoside;7-[(4-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5-hydroxy-4H-1-benzopyran-4-one CAS_RN 211096-98-9 FORMULA C33H40O20 EXACTMASS 756.21129372 AVERAGEMASS 756.6587 SMILES C(C1O)(O)C(C(CO)OC1OC(C(O)2)C(OC(Oc(c3)cc(O)c(C(=O)6)c3OC(=C6)c(c4)ccc(OC(O5)C(O)C(C(O)C(CO)5)O)c4)C2O)CO)O M END
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