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CHEBI:212835 - methyl (3aR,3bR,5S,6aR,7aS)-2,7a-dihydroxy-3,3a,5-trimethyl-1-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylate

ChEBI IDCHEBI:212835
ChEBI Namemethyl (3aR,3bR,5S,6aR,7aS)-2,7a-dihydroxy-3,3a,5-trimethyl-1-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O5
Net Charge0
Average Mass294.347
Monoisotopic Mass294.14672
SMILESCOC(=O)[C@@]1(C)C[C@@H]2C[C@@]3(O)C(=O)C(O)=C(C)[C@@]3(C)[C@@H]2C1
InChIInChI=1S/C16H22O5/c1-8-11(17)12(18)16(20)6-9-5-14(2,13(19)21-4)7-10(9)15(8,16)3/h9-10,17,20H,5-7H2,1-4H3/t9-,10-,14+,15+,16-/m1/s1
InChIKeyBZEAXBLCXACAHJ-OLGBICLBSA-N
Species of MetaboliteComponentSourceComments
Stereum hirsutum (ncbitaxon:40492) - PubMed (24054236)
ChEBI Ontology
Outgoing Relation(s)
methyl (3aR,3bR,5S,6aR,7aS)-2,7a-dihydroxy-3,3a,5-trimethyl-1-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylate (CHEBI:212835) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
methyl (3aR,3bR,5S,6aR,7aS)-2,7a-dihydroxy-3,3a,5-trimethyl-1-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylate
Manual XrefsDatabases
78442077ChemSpider