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CHEBI:211232 - (1R,4S,5S,7S,9R,10S,11R)-guaiane-9,10,11,12-tetraol

ChEBI IDCHEBI:211232
ChEBI Name(1R,4S,5S,7S,9R,10S,11R)-guaiane-9,10,11,12-tetraol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H28O4
Net Charge0
Average Mass272.385
Monoisotopic Mass272.19876
SMILESC[C@H]1CC[C@@H]2[C@H]1C[C@H](C(C)(O)CO)C[C@@H](O)[C@@]2(C)O
InChIInChI=1S/C15H28O4/c1-9-4-5-12-11(9)6-10(14(2,18)8-16)7-13(17)15(12,3)19/h9-13,16-19H,4-8H2,1-3H3/t9-,10-,11-,12+,13+,14?,15-/m0/s1
InChIKeyKFZFUCCFQQZMRH-MSIOBIFJSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (24890390)
ChEBI Ontology
Outgoing Relation(s)
(1R,4S,5S,7S,9R,10S,11R)-guaiane-9,10,11,12-tetraol (CHEBI:211232) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,3aR,4S,5R,7S,8aS)-7-(1,2-dihydroxypropan-2-yl)-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulene-4,5-diol
Manual XrefsDatabases
78442354ChemSpider