CHEBI:227961 - Neobulgarone E/F

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Neobulgarone E/F
ChEBI ID CHEBI:227961
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H24Cl2O8
Net Charge 0
Average Mass 607.440
Monoisotopic Mass 606.08482
InChI InChI=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
InChIKey QAZZAQNQJFRMEL-UHFFFAOYSA-N
SMILES ClC1=C(O)C=C(O)C2=C1C(C=3C=C(C)C=C(C3C2=O)OC)C4C5=C(Cl)C(O)=CC(=C5C(=O)C6=C4C=C(C)C=C6OC)O
Metabolite of Species Details
Neobulgaria pura (NCBI:txid45434) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78436008 ChemSpider
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