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CHEBI:82660 - curvularol

ChEBI IDCHEBI:82660
ChEBI Namecurvularol
Stars
DefinitionAn organic heterotricyclic compound that is isolated from the fermentation broth of Curvularia sp. RK97-F166.
Last Modified24 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILES[H]C1(O)[C@@]2(C)[C@]3(CO3)C[C@]1(O)O[C@@]1([H])C=C(C)CC[C@]21C
InChIInChI=1S/C15H22O4/c1-9-4-5-12(2)10(6-9)19-15(17)7-14(8-18-14)13(12,3)11(15)16/h6,10-11,16-17H,4-5,7-8H2,1-3H3/t10-,11?,12-,13+,14+,15-/m0/s1
InChIKeySSTQGEBHEZQSQQ-HCKLQLJTSA-N
Species of MetaboliteComponentSourceComments
Curvularia (ncbitaxon:5502) - PubMed (17031058) Strain: RK97-F166
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
curvularol (CHEBI:82660) has role fungal metabolite (CHEBI:76946)
curvularol (CHEBI:82660) is a bridged compound (CHEBI:35990)
curvularol (CHEBI:82660) is a cyclic hemiketal (CHEBI:59780)
curvularol (CHEBI:82660) is a organic heterotricyclic compound (CHEBI:26979)
curvularol (CHEBI:82660) is a spiro-epoxide (CHEBI:133131)
IUPAC Name 
(2S,4S,5S,5aR,9aS,10S)-5,5a,8-trimethyl-5a,6,7,9a-tetrahydro-5H-spiro[2,5-methano[1]benzoxepine-4,2'-oxirane]-2,10(3H)-diol
Manual XrefsDatabases
C00015733KNApSAcK
Registry NumbersSources
CAS:339293-67-3KNApSAcK