Mol:FL3FQUNR0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 -0.3298 -1.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3251 -0.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3823 -1.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0991 -1.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1038 -0.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.1265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3776 -2.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8112 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -1.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5327 -0.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8206 -0.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0372 -0.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -0.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7587 -1.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0466 -1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2418 -0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2387 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5266 1.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8176 0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2369 1.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8318 -0.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8628 1.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5266 2.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2603 2.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9091 2.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9091 1.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4418 2.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2253 -1.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2253 -2.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8665 -1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3905 -0.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0466 -2.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4201 -1.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1098 -1.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8322 -1.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8322 -2.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4418 -1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 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 2 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 5 1 0 0 0 0 2 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 1 2 0 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 11 1 0 0 0 0 19 20 2 0 0 0 0 16 21 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 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 25 27 1 0 0 0 0 9 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 13 31 1 0 0 0 0 15 32 1 0 0 0 0 14 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 S SKP 8 ID FL3FQUNR0001 KNApSAcK_ID C00013493 NAME Artonin O;5,6-Dihydro-3,8,10-trihydroxy-2,9-bis(3-methyl-2-butenyl)-5-(1-methylethenyl)-1H-benzo[c]xanthene-1,4,7-trione CAS_RN 151652-48-1 FORMULA C30H30O7 EXACTMASS 502.199153314 AVERAGEMASS 502.55500000000006 SMILES c(C(=O)2)(c1O)c(OC(c43)=C2CC(C(C)=C)c3c(c(c(CC=C(C)C)c(=O)4)O)=O)cc(c(CC=C(C)C)1)O M END