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CHEBI:68868 - rel-(+)-(10R)-cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide

ChEBI IDCHEBI:68868
ChEBI Namerel-(+)-(10R)-cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide
Stars
ASCII Namerel-(+)-(10R)-cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide
DefinitionA cembrane diterpenoid isolated from the leaves of Croton gratissimus.
Last Modified30 September 2013
DownloadsMolfile
FormulaC20H26O2
Net Charge0
Average Mass298.426
Monoisotopic Mass298.19328
SMILES[H][C@]12C=C(CC/C(C(=C)C)=C\C=C(/C)CC/C=C(\C)C1)C(=O)O2
InChIInChI=1S/C20H26O2/c1-14(2)17-9-8-15(3)6-5-7-16(4)12-19-13-18(11-10-17)20(21)22-19/h7-9,13,19H,1,5-6,10-12H2,2-4H3/b15-8+,16-7+,17-9+/t19-/m1/s1
InChIKeyKGUUUDYKWYRRMZ-KTFRZDGWSA-N
Species of MetaboliteComponentSourceComments
Croton gratissimus (ncbitaxon:316784) leaf (BTO:0000713) PubMed (22032651) Combined hexane,methylene chloride,ethyl acetate and methanol extract of Ground leaves
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)
rel-(+)-(10R)-cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide (CHEBI:68868) has role metabolite (CHEBI:25212)
rel-(+)-(10R)-cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide (CHEBI:68868) is a cembrane diterpenoid (CHEBI:60687)
rel-(+)-(10R)-cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide (CHEBI:68868) is a diterpene lactone (CHEBI:49193)
rel-(+)-(10R)-cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide (CHEBI:68868) is a macrocycle (CHEBI:51026)
IUPAC Name 
(4E,6E,10E,13R*)-7,11-dimethyl-4-(prop-1-en-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),4,6,10-tetraen-15-one
Citations