Mol:FL4DRNNP0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 41 0 0 0 0 0 0 0 0999 V2000 -1.4091 -0.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8882 -0.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3673 -0.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3673 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8882 0.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4091 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1536 -0.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6745 -0.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6745 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1536 0.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1536 -1.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1949 -0.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8882 -1.3445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9294 0.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2465 0.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1982 -0.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4428 0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0893 0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4911 0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0404 0.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6745 -1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9294 -0.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4498 -0.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8785 1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4952 1.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4952 2.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 2.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8724 2.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4498 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0404 0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9992 -0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2086 -1.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2086 -2.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 -2.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6882 -2.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8756 0.9090 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 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 2 13 1 0 0 0 0 6 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 16 9 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 16 1 0 0 0 0 18 21 1 0 0 0 0 8 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 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 27 29 1 0 0 0 0 25 5 1 0 0 0 0 14 30 1 0 0 0 0 30 24 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 22 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 9 37 1 0 0 0 0 S SKP 8 ID FL4DRNNP0004 KNApSAcK_ID C00008634 NAME Sanggenon L CAS_RN 92280-13-2 FORMULA C30H32O7 EXACTMASS 504.214803378 AVERAGEMASS 504.57088 SMILES CC(C)=CCc(c54)c(c(c(c(C=CC(C)(C)O5)4)O)3)OC(O)(c21)C(C3=O)(CC=C(C)C)Oc(cc(O)cc2)1 M END