Mol:FL5FAAGS0086
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 54 59 0 0 0 0 0 0 0 0999 V2000 3.9169 1.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9169 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6314 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3459 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3459 1.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6314 1.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2025 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 0.2270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7735 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7735 -1.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -1.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2025 -1.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0591 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3446 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3446 -1.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0591 -1.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -2.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3699 0.2270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8088 -1.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9466 1.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0591 -2.1226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4635 1.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 0.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4597 0.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8722 1.4877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6703 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8272 1.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3069 2.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9466 1.0223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4996 1.0498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4244 0.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0545 0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 -0.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0507 -0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4632 0.3987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2613 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4182 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8979 1.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5376 -0.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0906 -0.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0154 -0.7288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6531 -1.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9307 -1.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3555 -0.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5593 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2817 -0.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8569 -0.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2939 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8477 -0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8169 -1.7510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4485 -1.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1716 -1.5310 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 5 20 1 0 0 0 0 16 21 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 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 25 40 1 0 0 0 0 18 36 1 0 0 0 0 44 45 1 1 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 44 52 1 0 0 0 0 45 53 1 0 0 0 0 46 54 1 0 0 0 0 42 47 1 0 0 0 0 S SKP 8 ID FL5FAAGS0086 KNApSAcK_ID C00013753 NAME Kaempferol 7-(3G-glucosylgentiobioside);Kaempferol 7-O-beta-D-glucopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1-->6)]-glucopyranoside;7-[(O-beta-D-glucopyranosyl-(1->3)-O-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 557102-62-2 FORMULA C33H40O21 EXACTMASS 772.206208342 AVERAGEMASS 772.6581 SMILES O(CC(O3)C(O)C(C(O)C3Oc(c4)cc(c(C(=O)5)c(OC(c(c6)ccc(c6)O)=C5O)4)O)OC(C2O)OC(CO)C(O)C2O)C(O1)C(O)C(O)C(O)C1CO M END
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