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CHEBI:205446 - Neobulgarone G

ChEBI IDCHEBI:205446
ChEBI NameNeobulgarone G
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FormulaC32H24Cl2O9
Net Charge0
Average Mass623.441
Monoisotopic Mass622.07974
SMILESCOc1cc(C)cc2c1C(=O)c1c(O)cc(O)c(Cl)c1[C@H]2[C@H]1c2cc(CO)cc(OC)c2C(=O)c2c(O)cc(O)c(Cl)c21
InChIInChI=1S/C32H24Cl2O9/c1-11-4-13-21(19(5-11)42-2)31(40)25-15(36)8-17(38)29(33)27(25)23(13)24-14-6-12(10-35)7-20(43-3)22(14)32(41)26-16(37)9-18(39)30(34)28(24)26/h4-9,23-24,35-39H,10H2,1-3H3/t23-,24-/m1/s1
InChIKeyMQMWBFUKNWTRJV-DNQXCXABSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (21146414)
ChEBI Ontology
Outgoing Relation(s)
Neobulgarone G (CHEBI:205446) is a anthracenes (CHEBI:46955)
IUPAC Name 
(10S)-4-chloro-10-[(9S)-1-chloro-2,4-dihydroxy-7-(hydroxymethyl)-5-methoxy-10-oxo-9H-anthracen-9-yl]-1,3-dihydroxy-8-methoxy-6-methyl-10H-anthracen-9-one
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26378920ChemSpider