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CHEBI:209217 - Allianthrone B

ChEBI IDCHEBI:209217
ChEBI NameAllianthrone B
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FormulaC36H32Cl2O10
Net Charge0
Average Mass695.548
Monoisotopic Mass694.13725
SMILESCOc1cc2c(c(O)c1Cl)C(=O)c1c(O)cc(C[C@H](C)O)cc1[C@H]2[C@@H]1c2cc(C[C@H](C)O)cc(O)c2C(=O)c2c1cc(OC)c(Cl)c2O
InChIInChI=1S/C36H32Cl2O10/c1-13(39)5-15-7-17-25(19-11-23(47-3)31(37)35(45)29(19)33(43)27(17)21(41)9-15)26-18-8-16(6-14(2)40)10-22(42)28(18)34(44)30-20(26)12-24(48-4)32(38)36(30)46/h7-14,25-26,39-42,45-46H,5-6H2,1-4H3/t13-,14-,25+,26+/m0/s1
InChIKeyKEWBBYQPPLDYMS-WAFRIWBUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus alliaceus (ncbitaxon:209559) - PubMed (29517220)
ChEBI Ontology
Outgoing Relation(s)
Allianthrone B (CHEBI:209217) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(10R)-2-chloro-10-[(9R)-3-chloro-4,5-dihydroxy-7-[(2S)-2-hydroxypropyl]-2-methoxy-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-6-[(2S)-2-hydroxypropyl]-3-methoxy-10H-anthracen-9-one
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