E-beta-trans-5,8,11-trihydroxybergamot-9-ene (CHEBI:205839)

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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	E-beta-trans-5,8,11-trihydroxybergamot-9-ene

ChEBI ID	CHEBI:205839

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H24O3

Net Charge

Average Mass

252.354

Monoisotopic Mass

252.17254

InChI

InChI=1S/C15H24O3/c1-10-5-8-15(18)9-11(10)14(15,4)12(16)6-7-13(2,3)17/h6-7,11-12,16-18H,1,5,8-9H2,2-4H3/b7-6+/t11-,12?,14+,15+/m0/s1

InChIKey

ZWKHMGLKAAWIBE-NMJRULQRSA-N

SMILES

O[C@]12[C@]([C@H](C(=C)CC1)C2)(C(O)/C=C/C(O)(C)C)C

Metabolite of Species	Details
Aspergillus (NCBI:txid5052)	See: PubMed

ChEBI Ontology
Outgoing	E-beta-trans-5,8,11-trihydroxybergamot-9-ene (CHEBI:205839) is a monoterpenoid (CHEBI:25409)

IUPAC Name

(E)-1-[(1R,5S,6R)-1-hydroxy-6-methyl-4-methylidene-6-bicyclo[3.1.1]heptanyl]-4-methylpent-2-ene-1,4-diol