Mol:FL1C18NP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 3.1992 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1992 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7555 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3118 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3118 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7555 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 -0.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6223 -0.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5099 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9489 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5099 -1.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9489 0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3963 0.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1563 0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1563 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3963 -0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3963 -1.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7089 0.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7089 -0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2602 -0.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2602 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8103 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7555 -1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8719 -0.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4828 0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0924 -0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7021 0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7021 1.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3118 -0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7555 1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 3 23 1 0 0 0 0 21 18 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 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 6 30 1 0 0 0 0 S SKP 8 ID FL1C18NP0001 KNApSAcK_ID C00007140 NAME Flemiwallichin D CAS_RN 96657-91-9 FORMULA C25H26O5 EXACTMASS 406.178023942 AVERAGEMASS 406.47094 SMILES Oc(c3)c(cc(c3)O)C=CC(c(c2)c(c(c(c2)1)C=CC(CCC=C(C)C)(O1)C)O)=O M END