Coprinastatin 1 (CHEBI:225999)

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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	Coprinastatin 1

ChEBI ID	CHEBI:225999

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

Submitter	MetaboLights

Supplier Information

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Formula

C15H22O2

Net Charge

Average Mass

234.339

Monoisotopic Mass

234.16198

InChI

InChI=1S/C15H22O2/c1-9-11-6-14(3,8-16)7-12(11)13(17)10(2)15(9)4-5-15/h12-13,16-17H,2,4-8H2,1,3H3/t12-,13-,14-/m0/s1

InChIKey

XUXXDJLUAMCRLH-IHRRRGAJSA-N

SMILES

O[C@H]1C(=C)C2(C(C)=C3[C@@H]1C[C@](CO)(C)C3)CC2

Metabolite of Species	Details
Coprinopsis cinerea (NCBI:txid5346)	See: PubMed

ChEBI Ontology
Outgoing	Coprinastatin 1 (CHEBI:225999) is a secondary alcohol (CHEBI:35681)

IUPAC Name

(2R,3aS,4R)-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3,3a,4-tetrahydroindene-6,1'-cyclopropane]-4-ol