EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:29652 - Neoabietal

ChEBI IDCHEBI:29652
ChEBI NameNeoabietal
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H30O
Net Charge0
Average Mass286.459
Monoisotopic Mass286.22967
SMILES[H][C@@]12CCC3=CC(=C(C)C)CC[C@]3([H])[C@@]1(C)CCC[C@@]2(C)C=O
InChIInChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12-13,17-18H,5-11H2,1-4H3/t17-,18-,19-,20+/m0/s1
InChIKeyJPCTZWFFRZZTMM-LWYYNNOASA-N
ChEBI Ontology
Outgoing Relation(s)
Neoabietal (CHEBI:29652) is a diterpenoid (CHEBI:23849)
Synonyms  Source
NeoabietalKEGG COMPOUND
NeoabietinalKEGG COMPOUND
Manual XrefsDatabases
C11885KEGG COMPOUND
Registry NumbersSources
CAS:19898-57-8KEGG COMPOUND