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CHEBI:227200 - (10R,10′S)-wentibianthrone C

ChEBI IDCHEBI:227200
ChEBI Name(10R,10′S)-wentibianthrone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H28O8
Net Charge0
Average Mass552.579
Monoisotopic Mass552.17842
SMILESCOc1cc(OC)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(OC)cc(O)cc31)c1cc(C)cc(O)c1C2=O
InChIInChI=1S/C33H28O8/c1-14-6-18-26(20-10-16(34)11-24(40-4)30(20)32(37)28(18)22(35)8-14)27-19-7-15(2)9-23(36)29(19)33(38)31-21(27)12-17(39-3)13-25(31)41-5/h6-13,26-27,34-36H,1-5H3/t26-,27+/m0/s1
InChIKeyBWKZQMHHIFWJID-RRPNLBNLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus wentii (ncbitaxon:5066) - PubMed (31466836)
ChEBI Ontology
Outgoing Relation(s)
(10R,10′S)-wentibianthrone C (CHEBI:227200) is a anthracenes (CHEBI:46955)
IUPAC Name 
(10S)-1,6-dihydroxy-10-[(9R)-5-hydroxy-2,4-dimethoxy-7-methyl-10-oxo-9H-anthracen-9-yl]-8-methoxy-3-methyl-10H-anthracen-9-one