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CHEBI:132863 - coriatin

ChEBI IDCHEBI:132863
ChEBI Namecoriatin
Stars
DefinitionA sesquiterpene lactone containing two epoxide groups and two tertiary hydroxy groups that has been isolated from the roots of Coriaria nepalensis.
Last Modified30 January 2017
Submitterliuqingping
DownloadsMolfile
FormulaC15H20O6
Net Charge0
Average Mass296.319
Monoisotopic Mass296.12599
SMILES[H][C@@]12C(=O)O[C@@]([H])(C[C@]3(C)[C@@]1(O)[C@H]1O[C@H]1[C@]31CO1)[C@@]2([H])C(C)(C)O
InChIInChI=1S/C15H20O6/c1-12(2,17)7-6-4-13(3)14(5-19-14)9-10(21-9)15(13,18)8(7)11(16)20-6/h6-10,17-18H,4-5H2,1-3H3/t6-,7+,8+,9+,10-,13-,14+,15-/m0/s1
InChIKeyLGZSARJAXHVXEV-YEJVQPDVSA-N
Species of MetaboliteComponentSourceComments
Loranthus parasiticus ( L. ) Merr. (IPNI:549945-1) - PubMed (24467533)
Coriaria nepalensis Wall. (IPNI:271362-1) root (BTO:0001188) PubMed (12016873)
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)
coriatin (CHEBI:132863) has role plant metabolite (CHEBI:76924)
coriatin (CHEBI:132863) is a bridged compound (CHEBI:35990)
coriatin (CHEBI:132863) is a diol (CHEBI:23824)
coriatin (CHEBI:132863) is a organic heterotetracyclic compound (CHEBI:38163)
coriatin (CHEBI:132863) is a sesquiterpene lactone (CHEBI:37667)
coriatin (CHEBI:132863) is a spiro-epoxide (CHEBI:133131)
coriatin (CHEBI:132863) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1S,2R,3S,5R,6R,7R,9S,12S)-2-hydroxy-12-(2-hydroxypropan-2-yl)-7-methyl-11H-spiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxiran]-11-one
Citations