Mol:FL2F1ANN0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 32 0 0 0 0 0 0 0 0999 V2000 -4.3791 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3791 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6647 -1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9502 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9502 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6647 0.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 -1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5213 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5213 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 0.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0143 0.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 -1.7830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7749 0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0604 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6541 0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6541 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0604 1.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7749 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4387 0.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9236 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4387 1.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7373 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1498 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9748 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3873 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9748 1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1498 1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 0.9580 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 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 1 11 1 0 0 0 0 7 12 2 0 0 0 0 9 13 1 6 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 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 16 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 25 28 1 0 0 0 0 S SKP 8 ID FL2F1ANN0001 KNApSAcK_ID C00014712 NAME Lophirone I;(S)-2,3-Dihydro-7-hydroxy-2-[2-(4-hydroxyphenyl)-5-benzofuranyl]-4H-1-benzopyran-4-one CAS_RN 155548-31-5 FORMULA C23H16O5 EXACTMASS 372.099773622 AVERAGEMASS 372.37014000000005 SMILES c(c3C(O5)CC(c(c54)ccc(c4)O)=O)c(c1)c(cc3)oc1c(c2)ccc(c2)O M END