Khusinol B (CHEBI:211161)

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CHEBI:211161 - Khusinol B

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ChEBI ID	CHEBI:211161
ChEBI Name	Khusinol B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H26O2
Net Charge	0
Average Mass	238.371
Monoisotopic Mass	238.19328
SMILES	CC1=C[C@H]2[C@@H](C[C@H]1O)[C@@H](CO)CC[C@@H]2C(C)C
InChI	InChI=1S/C15H26O2/c1-9(2)12-5-4-11(8-16)13-7-15(17)10(3)6-14(12)13/h6,9,11-17H,4-5,7-8H2,1-3H3/t11-,12-,13+,14-,15-/m1/s1
InChIKey	OAOAEDGPQMILBW-UXXRCYHCSA-N

Species of Metabolite	Component	Source	Comments
Graphostroma (ncbitaxon:190933)	-	DOI (10.1016/j.tet.2017.11.013)

ChEBI Ontology

Outgoing Relation(s)
	Khusinol B (CHEBI:211161) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(2R,4aR,5R,8S,8aR)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-ol

Manual Xrefs	Databases
63002561	ChemSpider