CHEBI:69278 - coscinoquinol, (rel)-

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ChEBI Name coscinoquinol, (rel)-
ChEBI ID CHEBI:69278
Definition A natural product found in Coscinoderma species.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H46O2
Net Charge 0
Average Mass 450.69570
Monoisotopic Mass 450.34978
InChI InChI=1S/C31H46O2/c1-22(11-14-25-21-26(32)15-17-28(25)33)9-7-10-23(2)12-16-27-24(3)13-18-29-30(4,5)19-8-20-31(27,29)6/h11-13,15,17,21,27,29,32-33H,7-10,14,16,18-20H2,1-6H3/b22-11+,23-12-/t27-,29-,31+/m0/s1
InChIKey FBBXOWQBMFRXRO-MEVHTVKHSA-N
SMILES [H][C@@]12CC=C(C)[C@H](C\C=C(\C)CCC\C(C)=C\Cc3cc(O)ccc3O)[C@@]1(C)CCCC2(C)C
Metabolite of Species Details
Coscinoderma (NCBI:txid1162776) Methanol and methylene dichloride extract of lyophilized and macerated sponge See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing coscinoquinol, (rel)- (CHEBI:69278) has role metabolite (CHEBI:25212)
coscinoquinol, (rel)- (CHEBI:69278) is a sesterterpenoid (CHEBI:26660)
Synonym Source
rel-2-{(2E,7Z)-3,7-Dimethyl-9-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2,7-nonadien-1-yl}-1,4-benzenedio ChEBI
Manual Xref Database
9919207 ChemSpider
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Citation Waiting for Citations Type Source
21827183 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:hydroquinones(CHEBI:24646); ISA:organic heterocyclic compound(CHEBI:24532); ISA:aromatic alcohol(CHEBI:33854);