Cyclonerodiol C (CHEBI:209448)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Cyclonerodiol C

ChEBI ID	CHEBI:209448

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H30O4

Net Charge

Average Mass

298.423

Monoisotopic Mass

298.21441

InChI

InChI=1S/C17H30O4/c1-12(11-21-14(3)18)7-6-9-17(5,20)15-8-10-16(4,19)13(15)2/h7,13,15,19-20H,6,8-11H2,1-5H3/b12-7+/t13-,15+,16+,17+/m0/s1

InChIKey

AARBOKSNAGDJKW-WASRFJPFSA-N

SMILES

O=C(OC/C(=C/CC[C@@](O)([C@H]1[C@@H]([C@@](O)(C)CC1)C)C)/C)C

Metabolite of Species	Details
Trichothecium roseum (NCBI:txid47278)	See: PubMed
Trichoderma (NCBI:txid5543)	See: PubMed

ChEBI Ontology
Outgoing	Cyclonerodiol C (CHEBI:209448) is a sesquiterpenoid (CHEBI:26658)

IUPAC Names

(1R,2S,3R)-3-[(2R)-2-hydroxy-6-methylheptan-2-yl]-1,2-dimethylcyclopentan-1-ol

[(E,6R)-6-hydroxy-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-2-enyl] acetate