(1S,2S,4R,5R,7R,10R)-guaiane-2,4,10,11,12-pentaol (CHEBI:207439)

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CHEBI:207439 - (1S,2S,4R,5R,7R,10R)-guaiane-2,4,10,11,12-pentaol

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ChEBI ID	CHEBI:207439
ChEBI Name	(1S,2S,4R,5R,7R,10R)-guaiane-2,4,10,11,12-pentaol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H28O5
Net Charge	0
Average Mass	288.384
Monoisotopic Mass	288.19367
SMILES	CC(O)(CO)[C@@H]1CC[C@@](C)(O)[C@H]2[C@@H](C1)[C@](C)(O)C[C@@H]2O
InChI	InChI=1S/C15H28O5/c1-13(18)5-4-9(15(3,20)8-16)6-10-12(13)11(17)7-14(10,2)19/h9-12,16-20H,4-8H2,1-3H3/t9-,10-,11+,12+,13-,14-,15?/m1/s1
InChIKey	IXFRQVRAVLEFDG-KYHUKMSWSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	(1S,2S,4R,5R,7R,10R)-guaiane-2,4,10,11,12-pentaol (CHEBI:207439) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(1R,3S,3aS,4R,7R,8aR)-7-(1,2-dihydroxypropan-2-yl)-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,3,4-triol

Manual Xrefs	Databases
78441469	ChemSpider