Phomopene (CHEBI:202902)

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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	Phomopene

ChEBI ID	CHEBI:202902

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H18O3

Net Charge

Average Mass

186.251

Monoisotopic Mass

186.12559

InChI

InChI=1S/C10H18O3/c1-9(2,11)6-4-5-10(3,12)8-7(6)13-8/h6-8,11-12H,4-5H2,1-3H3/t6-,7+,8+,10-/m1/s1

InChIKey

DRAPOCVWVCKZRC-CHIQAWFVSA-N

SMILES

O1[C@@H]2[C@](O)(CC[C@H]([C@H]12)C(O)(C)C)C

Metabolite of Species	Details
Phomopsisspecies A123 (NCBI:txid559193)	See: PubMed

ChEBI Ontology
Outgoing	Phomopene (CHEBI:202902) is a monoterpenoid (CHEBI:25409)

IUPAC Name

(1S,2R,5R,6S)-5-(2-hydroxypropan-2-yl)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-ol