Mol:FL7ACIGL0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 47 51 0 0 0 0 0 0 0 0999 V2000 -1.6016 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6016 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8871 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1727 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1727 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8871 1.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5418 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2563 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2563 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5418 1.6588 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -2.2205 1.6036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9223 1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6367 1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3512 1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3512 2.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6367 2.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9223 2.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9853 2.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8871 -0.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9098 0.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0094 1.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6367 3.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2681 3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6562 1.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8544 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8433 -2.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6685 -2.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8774 -1.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4639 -0.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6387 -0.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4298 -1.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8422 -1.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3655 -1.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 -2.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2229 -2.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3512 -1.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1226 -2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2974 -3.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9465 -2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3585 -3.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1823 -3.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5948 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4198 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8323 -3.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4198 -3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5948 -3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6562 -3.2394 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 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 41 1 0 0 0 0 44 47 1 0 0 0 0 33 37 1 0 0 0 0 S SKP 8 ID FL7ACIGL0002 KNApSAcK_ID C00014875 NAME Hirsutidin 3-O-(6-O-p-coumaroyl)glucoside CAS_RN 623571-84-6 FORMULA C33H33O14 EXACTMASS 653.187030764 AVERAGEMASS 653.60672 SMILES Oc(c(OC)5)c(OC)cc(c5)c(c(OC(O3)C(O)C(O)C(O)C(COC(C=Cc(c4)ccc(c4)O)=O)3)2)[o+1]c(c1c2)cc(cc1O)OC M END