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CHEBI:227189 - (10S,10'S)-wentibianthrone A

ChEBI IDCHEBI:227189
ChEBI Name(10S,10'S)-wentibianthrone A
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DownloadsMolfile
FormulaC35H30O12
Net Charge0
Average Mass642.613
Monoisotopic Mass642.17373
SMILESCOc1cc(O)c2c(c1)[C@@H]([C@@H]1c3cc(O)cc(O)c3C(=O)c3c1cc(C)c(C(=O)OC[C@@H](O)CO)c3O)c1cc(C)cc(O)c1C2=O
InChIInChI=1S/C35H30O12/c1-13-4-18-26(21-9-17(46-3)10-24(41)30(21)33(43)28(18)22(39)5-13)27-19-6-14(2)25(35(45)47-12-16(38)11-36)32(42)31(19)34(44)29-20(27)7-15(37)8-23(29)40/h4-10,16,26-27,36-42H,11-12H2,1-3H3/t16-,26-,27-/m0/s1
InChIKeyYDKPGQXHCPSPPY-BLHYWNLJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus wentii (ncbitaxon:5066) - PubMed (31466836)
ChEBI Ontology
Outgoing Relation(s)
(10S,10'S)-wentibianthrone A (CHEBI:227189) is a anthracenes (CHEBI:46955)
IUPAC Name 
[(2S)-2,3-dihydroxypropyl] (10S)-10-[(9S)-4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,6,8-trihydroxy-3-methyl-9-oxo-10H-anthracene-2-carboxylate
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128436077ChemSpider