Kobiin (CHEBI:209315)

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CHEBI:209315 - Kobiin

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ChEBI ID	CHEBI:209315
ChEBI Name	Kobiin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H40O3
Net Charge	0
Average Mass	388.592
Monoisotopic Mass	388.29775
SMILES	C=C1CC/C=C(/C)C[C@H](O)/C=C(CO)\C=C/[C@@H]2[C@@H](C(C)C)[C@H](O)C[C@@]2(C)CC1
InChI	InChI=1S/C25H40O3/c1-17(2)24-22-10-9-20(16-26)14-21(27)13-19(4)8-6-7-18(3)11-12-25(22,5)15-23(24)28/h8-10,14,17,21-24,26-28H,3,6-7,11-13,15-16H2,1-2,4-5H3/b10-9-,19-8-,20-14+/t21-,22+,23+,24+,25+/m0/s1
InChIKey	INZNBTRIPSMDBL-UCARPSNNSA-N

Species of Metabolite	Component	Source	Comments
Gelasinospora (ncbitaxon:29880)	-	PubMed (9501458)

ChEBI Ontology

Outgoing Relation(s)
	Kobiin (CHEBI:209315) is a organic hydroxy compound (CHEBI:33822)

IUPAC Name
(1R,2Z,4E,6S,8Z,15R,17R,18R)-4-(hydroxymethyl)-8,15-dimethyl-12-methylidene-18-propan-2-ylbicyclo[13.3.0]octadeca-2,4,8-triene-6,17-diol