5-hydroxycyclopenicillone (CHEBI:212861)

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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	5-hydroxycyclopenicillone

ChEBI ID	CHEBI:212861

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H20O4

Net Charge

Average Mass

240.299

Monoisotopic Mass

240.13616

InChI

InChI=1S/C13H20O4/c1-4-5-6-7-9(14)10-8(2)11(15)13(3,17)12(10)16/h4-5,9,12,14,16-17H,6-7H2,1-3H3/b5-4+/t9-,12+,13-/m1/s1

InChIKey

MDJUYTDLJQDSHN-KRBUYWOTSA-N

SMILES

O=C1C(=C([C@H](O)CC/C=C/C)[C@@H]([C@@]1(O)C)O)C

Metabolite of Species	Details
Trichoderma (NCBI:txid5543)	See: PubMed

ChEBI Ontology
Outgoing	5-hydroxycyclopenicillone (CHEBI:212861) is a aliphatic alcohol (CHEBI:2571)

IUPAC Name

(4S,5S)-4,5-dihydroxy-3-[(E,1R)-1-hydroxyhex-4-enyl]-2,5-dimethylcyclopent-2-en-1-one