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CHEBI:216330 - Neobulgarone A/B

ChEBI IDCHEBI:216330
ChEBI NameNeobulgarone A/B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H26O8
Net Charge0
Average Mass538.552
Monoisotopic Mass538.16277
SMILESCOc1cc(C)cc2c1C(=O)c1c(O)cc(O)cc1C2C1c2cc(O)cc(O)c2C(=O)c2c(OC)cc(C)cc21
InChIInChI=1S/C32H26O8/c1-13-5-17-25(19-9-15(33)11-21(35)27(19)31(37)29(17)23(7-13)39-3)26-18-6-14(2)8-24(40-4)30(18)32(38)28-20(26)10-16(34)12-22(28)36/h5-12,25-26,33-36H,1-4H3
InChIKeyPQPFUPCNTQHJFA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Neobulgaria pura (ncbitaxon:45434) - PubMed (11132957)
ChEBI Ontology
Outgoing Relation(s)
Neobulgarone A/B (CHEBI:216330) is a anthracenes (CHEBI:46955)
IUPAC Name 
10-(2,4-dihydroxy-5-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl)-1,3-dihydroxy-8-methoxy-6-methyl-10H-anthracen-9-one
Manual XrefsDatabases
78435975ChemSpider