CHEBI:181359 - 11-(hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 11-(hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid
ChEBI ID CHEBI:181359
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H22O4
Net Charge 0
Average Mass 266.337
Monoisotopic Mass 266.15181
InChI InChI=1S/C15H22O4/c1-8-12(17)5-11-9-3-4-10(13(18)19)15(8,11)6-14(9,2)7-16/h8-11,16H,3-7H2,1-2H3,(H,18,19)
InChIKey QIYQVTNAEPQSBX-UHFFFAOYSA-N
SMILES O=C1C(C23C(C(C(C2)(CO)C)CCC3C(O)=O)C1)C
ChEBI Ontology
Outgoing 11-(hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid (CHEBI:181359) is a diterpenoid (CHEBI:23849)
IUPAC Name
11-(hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid
Manual Xref Database
32044385 ChemSpider
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