Mol:FL4DCBNC0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 40 44 0 0 0 0 0 0 0 0999 V2000 -3.7200 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 0.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7288 -0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 -1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3004 -0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2891 -0.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5873 -1.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8692 -0.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8624 -0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5691 0.3806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2396 0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2307 1.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4884 2.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1967 1.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1904 0.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4705 0.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6022 -2.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 -1.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4283 0.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7764 2.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0569 -1.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4755 1.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2086 -0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4034 -0.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0869 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8692 -1.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1031 -0.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7461 -0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4784 -0.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4784 -1.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1929 -2.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9074 -1.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9074 -0.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1929 -0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 -2.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1802 -1.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5877 -2.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2086 -1.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5781 -0.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1493 -0.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 9 11 1 6 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 4 18 1 0 0 0 0 1 19 1 0 0 0 0 14 20 1 0 0 0 0 8 21 1 0 0 0 0 20 22 1 0 0 0 0 19 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 25 9 1 0 0 0 0 8 26 1 6 0 0 0 24 27 1 1 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 30 35 1 0 0 0 0 35 36 1 0 0 0 0 32 37 1 0 0 0 0 37 38 1 0 0 0 0 33 39 1 0 0 0 0 39 40 1 0 0 0 0 S SKP 8 ID FL4DCBNC0001 KNApSAcK_ID C00014403 NAME Rel-5-hydroxy-7,4'-dimethoxy-2''S-(2,4,5-trimethoxy-E-styryl)-tetrahydrofuro[4''R,5''R:2,3]flavanonol CAS_RN 412928-29-1 FORMULA C30H30O10 EXACTMASS 550.18389718 AVERAGEMASS 550.5532000000001 SMILES c(c(OC)1)c(OC)c(cc1C=CC(O5)CC(C(O)35)(c(c4)ccc(OC)c4)Oc(c2)c(C3=O)c(cc2OC)O)OC M END