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CHEBI:30037 - taxa-4,11-diene

Default Structure
ChEBI IDCHEBI:30037
ChEBI Nametaxa-4,11-diene
Stars
DefinitionA diterpene consisting of taxane having two C=C double bonds at the 4(5)- and 11(12)-positions.
Secondary ChEBI IDsCHEBI:15205, CHEBI:29686
Last Modified21 November 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILES[H][C@]12CCC(C)=C(CC[C@]3(C)CCC=C(C)[C@@]3([H])C1)C2(C)C
InChIInChI=1S/C20H32/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h7,16,18H,6,8-13H2,1-5H3/t16-,18+,20-/m0/s1
InChIKeyFRJSECSOXKQMOD-HQRMLTQVSA-N
ChEBI Ontology
Outgoing Relation(s)
taxa-4,11-diene (CHEBI:30037) has parent hydride taxane (CHEBI:36064)
taxa-4,11-diene (CHEBI:30037) is a diterpene (CHEBI:35190)
IUPAC Name 
taxa-4,11-diene
Synonyms  Source
Taxa-4,11-dieneKEGG COMPOUND
Taxa-4(5),11(12)-dieneKEGG COMPOUND
UniProt Name  Source
taxa-4(5),11(12)-dieneUniProt
Manual XrefsDatabases
C00000900KNApSAcK
C11894KEGG COMPOUND
LMPR0104390002LIPID MAPS
Registry NumbersSources
Reaxys:10366609Reaxys
CAS:163594-75-0KEGG COMPOUND