(1S,2S,4S,5S,7R,10R)-guaiane-2,10,11,12-tetraol (CHEBI:202336)

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CHEBI:202336 - (1S,2S,4S,5S,7R,10R)-guaiane-2,10,11,12-tetraol

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ChEBI ID	CHEBI:202336
ChEBI Name	(1S,2S,4S,5S,7R,10R)-guaiane-2,10,11,12-tetraol
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Submitter	MetaboLights
Downloads	Molfile

Formula	C15H28O4
Net Charge	0
Average Mass	272.385
Monoisotopic Mass	272.19876
SMILES	C[C@H]1C[C@H](O)[C@@H]2[C@H]1C[C@H](C(C)(O)CO)CC[C@@]2(C)O
InChI	InChI=1S/C15H28O4/c1-9-6-12(17)13-11(9)7-10(15(3,19)8-16)4-5-14(13,2)18/h9-13,16-19H,4-8H2,1-3H3/t9-,10+,11-,12-,13-,14+,15?/m0/s1
InChIKey	RDBZPQHLQRBYGV-CHLHFKEBSA-N

Species of Metabolite	Component	Source	Comments
Xylaria (ncbitaxon:37991)	-	PubMed (26265580)

ChEBI Ontology

Outgoing Relation(s)
	(1S,2S,4S,5S,7R,10R)-guaiane-2,10,11,12-tetraol (CHEBI:202336) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(1S,3S,3aS,5R,8R,8aS)-5-(1,2-dihydroxypropan-2-yl)-3,8-dimethyl-2,3,3a,4,5,6,7,8a-octahydro-1H-azulene-1,8-diol

Manual Xrefs	Databases
78440886	ChemSpider