(1R,4R,5R,7R,10R)-11-methoxyguaiane-4,10,12-triol (CHEBI:214213)

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CHEBI:214213 - (1R,4R,5R,7R,10R)-11-methoxyguaiane-4,10,12-triol

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ChEBI ID	CHEBI:214213
ChEBI Name	(1R,4R,5R,7R,10R)-11-methoxyguaiane-4,10,12-triol
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Submitter	MetaboLights
Downloads	Molfile

Formula	C16H30O4
Net Charge	0
Average Mass	286.412
Monoisotopic Mass	286.21441
SMILES	COC(C)(CO)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)[C@@H]2C1
InChI	InChI=1S/C16H30O4/c1-14(18)7-5-11(16(3,10-17)20-4)9-13-12(14)6-8-15(13,2)19/h11-13,17-19H,5-10H2,1-4H3/t11-,12-,13-,14-,15-,16?/m1/s1
InChIKey	ZQKHJAAYIFIRJZ-XDBIMZJSSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	(1R,4R,5R,7R,10R)-11-methoxyguaiane-4,10,12-triol (CHEBI:214213) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(1R,3aR,4R,7R,8aR)-7-(1-hydroxy-2-methoxypropan-2-yl)-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol

Manual Xrefs	Databases
78441131	ChemSpider