beta-trans-2beta,5,15-trihydroxybergamot-10-ene (CHEBI:205844)

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CHEBI:205844 - beta-trans-2beta,5,15-trihydroxybergamot-10-ene

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ChEBI ID	CHEBI:205844
ChEBI Name	beta-trans-2beta,5,15-trihydroxybergamot-10-ene
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H26O3
Net Charge	0
Average Mass	254.370
Monoisotopic Mass	254.18819
SMILES	CC(C)=CCC[C@@]1(C)[C@H]2C[C@]1(O)CC[C@]2(O)CO
InChI	InChI=1S/C15H26O3/c1-11(2)5-4-6-13(3)12-9-15(13,18)8-7-14(12,17)10-16/h5,12,16-18H,4,6-10H2,1-3H3/t12-,13+,14+,15-/m1/s1
InChIKey	DAVBJMRJVIPBFV-CBBWQLFWSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (26729074)

ChEBI Ontology

Outgoing Relation(s)
	beta-trans-2beta,5,15-trihydroxybergamot-10-ene (CHEBI:205844) is a monoterpenoid (CHEBI:25409)

IUPAC Name
(1R,4R,5R,6S)-4-(hydroxymethyl)-6-methyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane-1,4-diol

Manual Xrefs	Databases
58196499	ChemSpider