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CHEBI:55361 - verlotorin

ChEBI IDCHEBI:55361
ChEBI Nameverlotorin
Stars
DefinitionA germacranolide isolated from Laurus nobilis L.
Last Modified24 September 2014
Submitterzjosephs
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILESC=C1CC[C@H]2C(=C)C(=O)O[C@@H]2/C=C(\C)CC[C@H]1OO
InChIInChI=1S/C15H20O4/c1-9-4-7-13(19-17)10(2)5-6-12-11(3)15(16)18-14(12)8-9/h8,12-14,17H,2-7H2,1H3/b9-8+/t12-,13+,14+/m0/s1
InChIKeyIXRHWRRLTANMPL-CVZWCJCVSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
verlotorin (CHEBI:55361) has role metabolite (CHEBI:25212)
verlotorin (CHEBI:55361) is a germacranolide (CHEBI:73011)
verlotorin (CHEBI:55361) is a peroxol (CHEBI:35924)
IUPAC Name 
(3aS,7R,10E,11aR)-7-hydroperoxy-10-methyl-3,6-bis(methylidene)-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-2(3H)-one
Synonyms  Source
peroxycostunolideChEBI
peroxyartemorinChEBI
Registry NumbersSources
Reaxys:1582600Reaxys
CAS:31105-79-0ChemIDplus
Citations