CHEBI:209012 - Diaporthemin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Diaporthemin B
ChEBI ID CHEBI:209012
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H24O10
Net Charge 0
Average Mass 556.523
Monoisotopic Mass 556.13695
InChI InChI=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
InChIKey UGOISXSTWKCKOR-UHFFFAOYSA-N
SMILES O=C1C2=C(C(=O)C=3C1=C(O)C=C(C)C3)C(C4=C(O)C5=C(O)C=6C(=O)CC(O)(C)CC6C=C5C=C4OC)=C(O)C=C2O
Metabolite of Species Details
Diaporthe melonis (NCBI:txid222581) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
78434966 ChemSpider
View more database links