Isoagathenediol (CHEBI:212399)

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CHEBI:212399 - Isoagathenediol

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ChEBI ID	CHEBI:212399
ChEBI Name	Isoagathenediol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H36O2
Net Charge	0
Average Mass	308.506
Monoisotopic Mass	308.27153
SMILES	CC1(C)CCC[C@]2(C)[C@H]3CC[C@](C)(O)[C@@H](CO)[C@]3(C)CC[C@@H]12
InChI	InChI=1S/C20H36O2/c1-17(2)9-6-10-18(3)14(17)7-11-19(4)15(18)8-12-20(5,22)16(19)13-21/h14-16,21-22H,6-13H2,1-5H3/t14-,15+,16-,18-,19+,20-/m0/s1
InChIKey	HSSHRMRFCHARFX-AEVHBADWSA-N

Species of Metabolite	Component	Source	Comments
Rhodospirillum rubrum (ncbitaxon:1085)	-	DOI (10.1099/13500872-141-10-2659)

ChEBI Ontology

Outgoing Relation(s)
	Isoagathenediol (CHEBI:212399) is a diterpenoid (CHEBI:23849)

IUPAC Name
(1R,2S,4aR,4bS,8aS,10aR)-1-(hydroxymethyl)-2,4b,8,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-ol