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CHEBI:132864 - corianin

ChEBI IDCHEBI:132864
ChEBI Namecorianin
Stars
DefinitionA sesquiterpene lactone containing an epoxide group and two tertiary hydroxy groups that has been isolated from the fruits of Coriaria ruscifolia and Coriaria japonica.
Last Modified30 January 2017
Submitterliuqingping
DownloadsMolfile
FormulaC15H18O6
Net Charge0
Average Mass294.303
Monoisotopic Mass294.11034
SMILES[H][C@]12OC[C@@]3(O)[C@@H]4O[C@@H]4[C@](O)([C@@]13C)[C@@]1([H])C(=O)O[C@]2([H])[C@H]1C(=C)C
InChIInChI=1S/C15H18O6/c1-5(2)6-7-12(16)20-8(6)9-13(3)14(17,4-19-9)10-11(21-10)15(7,13)18/h6-11,17-18H,1,4H2,2-3H3/t6-,7+,8+,9+,10+,11-,13-,14+,15-/m0/s1
InChIKeyIKTUZVAVHCTHSU-ULZPOIKGSA-N
Species of MetaboliteComponentSourceComments
Coriaria ruscifolia (ncbitaxon:79762) fruit (BTO:0000486) PubMed (11429254)
Loranthus parasiticus ( L. ) Merr. (IPNI:549945-1) fruit (BTO:0000486) PubMed (24467533)
Coriaria japonica (ncbitaxon:79757) fruit (BTO:0000486) PubMed (16079545)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
corianin (CHEBI:132864) has role plant metabolite (CHEBI:76924)
corianin (CHEBI:132864) is a bridged compound (CHEBI:35990)
corianin (CHEBI:132864) is a diol (CHEBI:23824)
corianin (CHEBI:132864) is a epoxide (CHEBI:32955)
corianin (CHEBI:132864) is a organic heteropentacyclic compound (CHEBI:38164)
corianin (CHEBI:132864) is a sesquiterpene lactone (CHEBI:37667)
corianin (CHEBI:132864) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2aS,3R,6S,6aR,6bS,7aR,7bR,7cR,8R)-6a,7b-dihydroxy-7c-methyl-8-(prop-1-en-2-yl)octahydro-3,6-methano-2,4,7-trioxacyclopenta[cd]cyclopropa[a]azulen-5(1H)-one
Manual XrefsDatabases
C00021364KNApSAcK
Registry NumbersSources
Reaxys:1260590Reaxys
CAS:35481-77-7ChemIDplus
Citations