Cercosporene C (CHEBI:207742)

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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	Cercosporene C

ChEBI ID	CHEBI:207742

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information	ChemicalBook:CB5855401, ZINC000005854633

Download	Molfile XML SDF

Formula

C20H26O4

Net Charge

Average Mass

330.424

Monoisotopic Mass

330.18311

InChI

InChI=1S/C20H26O4/c1-11(2)13-8-16(22)15-7-14-12(10-21)18(24)17(23)9-19(14,3)5-6-20(13,15)4/h7,9,11,13,21,23H,5-6,8,10H2,1-4H3/t13-,19-,20-/m1/s1

InChIKey

ZMQGQTKRCUHYLP-SMHULIPUSA-N

SMILES

O=C1C(O)=C[C@]2(CC[C@]3(C(=CC2=C1CO)C(=O)C[C@@H]3C(C)C)C)C

Metabolite of Species	Details
Cercosporaspecies (NCBI:txid1707699)	See: PubMed

ChEBI Ontology
Outgoing	Cercosporene C (CHEBI:207742) is a cyclic ketone (CHEBI:3992)

IUPAC Name

(3R,3aR,5aR)-7-hydroxy-9-(hydroxymethyl)-3a,5a-dimethyl-3-propan-2-yl-2,3,4,5-tetrahydrobenzo[g]azulene-1,8-dione