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CHEBI:209012 - Diaporthemin B

ChEBI IDCHEBI:209012
ChEBI NameDiaporthemin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H24O10
Net Charge0
Average Mass556.523
Monoisotopic Mass556.13695
SMILESCOc1cc2cc3c(c(O)c2c(O)c1-c1c(O)cc(O)c2c1C(=O)c1cc(C)cc(O)c1C2=O)C(=O)CC(C)(O)C3
InChIInChI=1S/C31H24O10/c1-11-4-14-22(15(32)5-11)30(39)24-17(34)8-16(33)23(26(24)27(14)36)25-19(41-3)7-12-6-13-9-31(2,40)10-18(35)20(13)28(37)21(12)29(25)38/h4-8,32-34,37-38,40H,9-10H2,1-3H3
InChIKeyUGOISXSTWKCKOR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Diaporthe melonis (ncbitaxon:222581) - DOI (10.1016/j.tetlet.2014.03.110)
ChEBI Ontology
Outgoing Relation(s)
Diaporthemin B (CHEBI:209012) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
2,4,5-trihydroxy-7-methyl-1-(1,6,9-trihydroxy-3-methoxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl)anthracene-9,10-dione
Manual XrefsDatabases
78434966ChemSpider