CHEBI:168590 - Camellenodiol

ChEBI IDCHEBI:168590
ChEBI NameCamellenodiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H46O3
Net Charge0
Average Mass442.684
Monoisotopic Mass442.34470
SMILESCC1(C)CCC2(O)C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
InChIInChI=1S/C29H46O3/c1-24(2)14-15-29(32)19(16-24)18-8-9-21-26(5)12-11-22(30)25(3,4)20(26)10-13-27(21,6)28(18,7)17-23(29)31/h8,19-22,30,32H,9-17H2,1-7H3
InChIKeyDNIUVLCJWDCWGK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Camellenodiol (CHEBI:168590) is a triterpenoid (CHEBI:36615)
IUPAC Name 
4a,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-5-one
Manual XrefsDatabases
35014009ChemSpider
HMDB0035735HMDB