Mol:FL4DQUNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 36 0 0 0 0 0 0 0 0999 V2000 -1.3653 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8444 -0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3235 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3235 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8444 1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3653 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1973 -0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7182 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7182 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1973 1.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1973 -0.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2386 -0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8444 -0.6284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8857 -0.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4061 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8857 1.1751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4061 0.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0464 1.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0842 0.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6438 0.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2903 1.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4866 1.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1331 1.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5349 1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0842 1.2491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7182 -0.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2643 -0.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2643 -1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7406 -1.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -1.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 1.4722 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 1 14 1 0 0 0 0 14 15 2 0 0 0 0 6 16 1 0 0 0 0 16 17 1 0 0 0 0 17 15 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 12 20 1 0 0 0 0 20 21 2 0 0 0 0 21 9 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 21 1 0 0 0 0 23 26 1 0 0 0 0 8 27 1 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 29 31 1 0 0 0 0 9 32 1 0 0 0 0 S SKP 8 ID FL4DQUNP0001 KNApSAcK_ID C00008628 NAME Sanggenon A CAS_RN 76464-71-6 FORMULA C25H24O7 EXACTMASS 436.152203122 AVERAGEMASS 436.45385999999996 SMILES C(c51)=CC(Oc1cc(c(c5O)4)OC(c32)(O)C(CC=C(C)C)(C4=O)Oc2cc(cc3)O)(C)C M END