Mol:FL5FAAGS0105
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 1.1286 4.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1286 3.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8431 3.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5575 3.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5575 4.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8431 5.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4141 3.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 3.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 3.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 2.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 2.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4141 2.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 3.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 3.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 2.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 2.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 1.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1582 3.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0204 2.2718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1582 5.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 1.5099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1572 -0.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9822 -0.9415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7447 -1.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1572 -2.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5562 -2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 -2.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7753 -3.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3449 -4.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5202 -4.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1259 -3.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7393 -5.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6724 0.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0736 0.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6104 0.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3915 0.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6455 1.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1086 0.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 0.9751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7942 -0.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 -0.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8442 -0.0144 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 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 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 36 19 1 0 0 0 0 22 41 1 0 0 0 0 S SKP 8 ID FL5FAAGS0105 KNApSAcK_ID C00013772 NAME Kaempferol 3-(4''-p-coumaroylglucoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[4-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one CAS_RN 331448-63-6 FORMULA C30H26O13 EXACTMASS 594.137340918 AVERAGEMASS 594.51964 SMILES OCC(O1)C(OC(C=Cc(c5)ccc(c5)O)=O)C(C(O)C1OC(C3=O)=C(Oc(c4)c3c(O)cc4O)c(c2)ccc(c2)O)O M END