Mol:FLIFHXNP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 35 0 0 0 0 0 0 0 0999 V2000 -1.8628 0.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8628 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3065 -0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7502 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7502 0.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3065 0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1939 -0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3624 -0.1935 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3624 0.4489 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1939 0.7701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9185 -0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9185 -1.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5133 -1.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1081 -1.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1081 -0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5133 -0.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1939 -1.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5403 0.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9187 0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4189 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3624 -0.8928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3065 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8628 1.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4189 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6108 2.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0595 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3065 -1.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0959 -1.7163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8104 -2.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1081 -1.2013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1081 -1.2013 0.0000 C 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 4 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 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 7 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 9 1 0 0 0 0 1 20 1 0 0 0 0 8 21 1 0 0 0 0 6 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 20 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 3 27 1 0 0 0 0 13 28 1 0 0 0 0 28 29 1 0 0 0 0 14 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 30 31 M SBL 2 1 34 M SMT 2 OCH3 M SVB 2 34 2.3451 -1.4076 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 28 29 M SBL 1 1 32 M SMT 1 OCH3 M SVB 1 32 1.0959 -1.7163 S SKP 8 ID FLIFHXNP0003 KNApSAcK_ID C00009591 NAME 11-Hydroxytephrosin CAS_RN 72458-85-6 FORMULA C23H22O8 EXACTMASS 426.13146768 AVERAGEMASS 426.41598000000005 SMILES c(c54)c(O)c(c3c4C=CC(O5)(C)C)C(C(C2O3)(c(c1)c(OC2)cc(c1OC)OC)O)=O M END