CHEBI:182143 - 14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid

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ChEBI Name 14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid
ChEBI ID CHEBI:182143
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O3
Net Charge 0
Average Mass 318.457
Monoisotopic Mass 318.21949
InChI InChI=1S/C20H30O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h5,13-15,21H,3-4,6-12H2,1-2H3,(H,22,23)
InChIKey XAFFBHRHOULDSM-UHFFFAOYSA-N
SMILES OCC1C2CC3(C(C4(C(CC3)C(CCC4)(C)C(O)=O)C)=CC2)C1
ChEBI Ontology
Outgoing 14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid (CHEBI:182143) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name
14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid