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CHEBI:73881 - (+)-vulgraon B

ChEBI IDCHEBI:73881
ChEBI Name(+)-vulgraon B
Stars
DefinitionA sesquiterpene that is tricyclo[5.4.0.02,8]undec-9-ene substituted by methyl groups at positions 2, 6, 6, and 9 as well as a methylidene group at position 11.
Last Modified24 September 2014
Submittermwilliams
DownloadsMolfile
FormulaC16H24
Net Charge0
Average Mass216.368
Monoisotopic Mass216.18780
SMILES[H][C@]12C3C(=C)C=C(C)C1[C@]3(C)CCCC2(C)C
InChIInChI=1S/C16H24/c1-10-9-11(2)13-14-12(10)16(13,5)8-6-7-15(14,3)4/h9,12-14H,1,6-8H2,2-5H3/t12?,13?,14-,16+/m0/s1
InChIKeyXHHIKHVPBSQUIJ-VKJZCYHPSA-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)
(+)-vulgraon B (CHEBI:73881) has role metabolite (CHEBI:25212)
(+)-vulgraon B (CHEBI:73881) is a bridged compound (CHEBI:35990)
(+)-vulgraon B (CHEBI:73881) is a polycyclic olefin (CHEBI:35714)
(+)-vulgraon B (CHEBI:73881) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(2S,7R)-2,6,6,9-tetramethyl-11-methylidenetricyclo[5.4.0.02,8]undec-9-ene
Synonym  Source
(+)-3-longipinen-5-oneLIPID MAPS
Manual XrefsDatabases
LMPR0103490003LIPID MAPS