Bipolenin A (CHEBI:204400)

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CHEBI:204400 - Bipolenin A

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ChEBI ID	CHEBI:204400
ChEBI Name	Bipolenin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H26O3
Net Charge	0
Average Mass	254.370
Monoisotopic Mass	254.18819
SMILES	CC(C)[C@H]1CC[C@@]2(C)C(CO)=C[C@@H]1[C@@H]2C(O)CO
InChI	InChI=1S/C15H26O3/c1-9(2)11-4-5-15(3)10(7-16)6-12(11)14(15)13(18)8-17/h6,9,11-14,16-18H,4-5,7-8H2,1-3H3/t11-,12+,13?,14-,15+/m1/s1
InChIKey	RXPKQHKDOKEKEV-WQGXVZNYSA-N

Species of Metabolite	Component	Source	Comments
Bipolaris eleusines (ncbitaxon:91366)	-	PubMed (26499168)

ChEBI Ontology

Outgoing Relation(s)
	Bipolenin A (CHEBI:204400) is a secondary alcohol (CHEBI:35681)

IUPAC Name
1-[(1R,4R,5R,8S)-7-(hydroxymethyl)-1-methyl-4-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]ethane-1,2-diol

Manual Xrefs	Databases
78440989	ChemSpider