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CHEBI:68875 - rel-(+)-(1R,10R)-cembra-2E,4E,7E,11Z-tetraen-20,10-olide

ChEBI IDCHEBI:68875
ChEBI Namerel-(+)-(1R,10R)-cembra-2E,4E,7E,11Z-tetraen-20,10-olide
Stars
ASCII Namerel-(+)-(1R,10R)-cembra-2E,4E,7E,11Z-tetraen-20,10-olide
DefinitionA cembrane diterpenoid isolated from the leaves of Croton gratissimus.
Last Modified30 September 2013
DownloadsMolfile
FormulaC20H28O2
Net Charge0
Average Mass300.442
Monoisotopic Mass300.20893
SMILES[H][C@]12C=C(CC[C@H](C(C)C)/C=C/C(C)=C/C/C=C(\C)C1)C(=O)O2
InChIInChI=1S/C20H28O2/c1-14(2)17-9-8-15(3)6-5-7-16(4)12-19-13-18(11-10-17)20(21)22-19/h6-9,13-14,17,19H,5,10-12H2,1-4H3/b9-8+,15-6+,16-7+/t17-,19-/m1/s1
InChIKeyGFSIRKGSRCAQRP-BSTDZIDZSA-N
Species of MetaboliteComponentSourceComments
Croton gratissimus (ncbitaxon:316784)
stem (BTO:0001300) PubMed (22032651) Previous component: stem bark; Combined hexane,methylene chloride,ethyl acetate and methanol extract of Ground leaves
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-(+)-(1R,10R)-cembra-2E,4E,7E,11Z-tetraen-20,10-olide (CHEBI:68875) has role metabolite (CHEBI:25212)
rel-(+)-(1R,10R)-cembra-2E,4E,7E,11Z-tetraen-20,10-olide (CHEBI:68875) is a cembrane diterpenoid (CHEBI:60687)
rel-(+)-(1R,10R)-cembra-2E,4E,7E,11Z-tetraen-20,10-olide (CHEBI:68875) is a diterpene lactone (CHEBI:49193)
rel-(+)-(1R,10R)-cembra-2E,4E,7E,11Z-tetraen-20,10-olide (CHEBI:68875) is a macrocycle (CHEBI:51026)
IUPAC Name 
(4R*,5E,7E,10E,13R*)-7,11-dimethyl-4-(propan-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one
Citations