(1R,3S,4R,5S,7R,10R,11S)-guaiane-3,10,11,12-tetraol (CHEBI:199790)

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CHEBI:199790 - (1R,3S,4R,5S,7R,10R,11S)-guaiane-3,10,11,12-tetraol

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ChEBI ID	CHEBI:199790
ChEBI Name	(1R,3S,4R,5S,7R,10R,11S)-guaiane-3,10,11,12-tetraol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H28O4
Net Charge	0
Average Mass	272.385
Monoisotopic Mass	272.19876
SMILES	C[C@@H]1[C@@H]2C[C@H](C(C)(O)CO)CC[C@@](C)(O)[C@@H]2C[C@@H]1O
InChI	InChI=1S/C15H28O4/c1-9-11-6-10(15(3,19)8-16)4-5-14(2,18)12(11)7-13(9)17/h9-13,16-19H,4-8H2,1-3H3/t9-,10-,11+,12-,13+,14-,15?/m1/s1
InChIKey	WTIPTDQVDAVYRV-QAJRHMJVSA-N

Species of Metabolite	Component	Source	Comments
Xylaria (ncbitaxon:37991)	-	PubMed (24890390)

ChEBI Ontology

Outgoing Relation(s)
	(1R,3S,4R,5S,7R,10R,11S)-guaiane-3,10,11,12-tetraol (CHEBI:199790) is a sesquiterpenoid (CHEBI:26658)

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

Manual Xrefs	Databases
78442277	ChemSpider