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CHEBI:227961 - Neobulgarone E/F

ChEBI IDCHEBI:227961
ChEBI NameNeobulgarone E/F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H24Cl2O8
Net Charge0
Average Mass607.442
Monoisotopic Mass606.08482
SMILESCOc1cc(C)cc2c1C(=O)c1c(O)cc(O)c(Cl)c1C2C1c2cc(C)cc(OC)c2C(=O)c2c(O)cc(O)c(Cl)c21
InChIInChI=1S/C32H24Cl2O8/c1-11-5-13-21(19(7-11)41-3)31(39)25-15(35)9-17(37)29(33)27(25)23(13)24-14-6-12(2)8-20(42-4)22(14)32(40)26-16(36)10-18(38)30(34)28(24)26/h5-10,23-24,35-38H,1-4H3
InChIKeyQAZZAQNQJFRMEL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Neobulgaria pura (ncbitaxon:45434) - PubMed (11132957)
ChEBI Ontology
Outgoing Relation(s)
Neobulgarone E/F (CHEBI:227961) is a anthracenes (CHEBI:46955)
IUPAC Name 
4-chloro-10-(1-chloro-2,4-dihydroxy-5-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl)-1,3-dihydroxy-8-methoxy-6-methyl-10H-anthracen-9-one
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78436008ChemSpider