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CHEBI:182142 - 5,5-bis(hydroxymethyl)-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-3-one

ChEBI IDCHEBI:182142
ChEBI Name5,5-bis(hydroxymethyl)-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESC=C1CC23CC(=O)C4C(CO)(CO)CCCC4(C)C2CCC1C3
InChIInChI=1S/C20H30O3/c1-13-8-20-9-14(13)4-5-16(20)18(2)6-3-7-19(11-21,12-22)17(18)15(23)10-20/h14,16-17,21-22H,1,3-12H2,2H3
InChIKeyPKKZJBBNWQFEBZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5,5-bis(hydroxymethyl)-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-3-one (CHEBI:182142) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
5,5-bis(hydroxymethyl)-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-3-one
Manual XrefsDatabases
22369986ChemSpider