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CHEBI:223843 - (3R,3aR,6R,6aS,10aS)-3-hydroxy-3,6-dimethyl-2,3a,4,5,6,6a,7,8-octahydrobenzo[h][1]benzouran-9-carboxylic acid

ChEBI IDCHEBI:223843
ChEBI Name(3R,3aR,6R,6aS,10aS)-3-hydroxy-3,6-dimethyl-2,3a,4,5,6,6a,7,8-octahydrobenzo[h][1]benzouran-9-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESC[C@@H]1CC[C@H]2[C@]3(C=C(C(=O)O)CC[C@@H]13)OC[C@]2(C)O
InChIInChI=1S/C15H22O4/c1-9-3-6-12-14(2,18)8-19-15(12)7-10(13(16)17)4-5-11(9)15/h7,9,11-12,18H,3-6,8H2,1-2H3,(H,16,17)/t9-,11+,12-,14+,15-/m1/s1
InChIKeyCUJOWLDRULOIOA-MYDLQGKQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavus (ncbitaxon:5059) - PubMed (31050424)
ChEBI Ontology
Outgoing Relation(s)
(3R,3aR,6R,6aS,10aS)-3-hydroxy-3,6-dimethyl-2,3a,4,5,6,6a,7,8-octahydrobenzo[h][1]benzouran-9-carboxylic acid (CHEBI:223843) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3R,3aR,6R,6aS,10aS)-3-hydroxy-3,6-dimethyl-2,3a,4,5,6,6a,7,8-octahydrobenzo[h][1]benzouran-9-carboxylic acid