Mol:FL4D19NP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 27 0 0 0 0 0 0 0 0999 V2000 -1.3078 -0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7869 -0.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7869 0.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3078 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2548 -0.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7757 -0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7757 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2548 0.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2961 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2548 -1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8305 0.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3648 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3648 0.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8305 1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2961 0.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8282 0.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7869 0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3078 1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8282 0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 1.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3648 0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2775 -0.8366 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 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 6 18 1 0 0 0 0 5 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 18 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 8 24 1 0 0 0 0 S SKP 8 ID FL4D19NP0001 KNApSAcK_ID C00008606 NAME 3-Hydroxyisolonchocarpin CAS_RN 70215-98-4 FORMULA C20H18O4 EXACTMASS 322.120509064 AVERAGEMASS 322.35452 SMILES c(O3)(c(C(C(C3c(c4)cccc4)O)=O)2)c(c(cc2)1)C=CC(C)(C)O1 M END