Mol:FL7ACIGL0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -2.5025 0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5025 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7881 -0.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0736 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0736 0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7881 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3591 -0.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3554 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3554 0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3591 1.0943 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -3.1214 1.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0213 1.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7358 0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 1.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 1.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7358 2.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0213 1.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0844 2.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7881 -1.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0089 -0.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 0.6862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7358 3.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3672 3.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7553 1.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7553 0.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0576 -2.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7676 -2.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9765 -1.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 -1.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7378 -1.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5288 -2.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0588 -2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5354 -2.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1268 -3.3893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3219 -2.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4503 -2.3865 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 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 1 11 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 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 3 19 1 0 0 0 0 12 9 1 0 0 0 0 8 20 1 0 0 0 0 14 21 1 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 11 25 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 29 20 1 0 0 0 0 S SKP 8 ID FL7ACIGL0003 KNApSAcK_ID C00014876 NAME Hirsutidin 3-glucoside CAS_RN 89418-84-8 FORMULA C24H27O12 EXACTMASS 507.150251328 AVERAGEMASS 507.46398 SMILES c(c1)(c(c(cc1c(c3OC(C4O)OC(CO)C(O)C4O)[o+1]c(c2c3)cc(cc2O)OC)OC)O)OC M END