EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:69962 - 12alpha-hydroxy-8,15-isopimaradien-18-oic acid

ChEBI IDCHEBI:69962
ChEBI Name12alpha-hydroxy-8,15-isopimaradien-18-oic acid
Stars
DefinitionA natural product found in Metasequoia glyptostroboides.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILES[H][C@@]12CCC3=C(C[C@H](O)[C@](C)(C=C)C3)[C@@]1(C)CCC[C@@]2(C)C(=O)O
InChIInChI=1S/C20H30O3/c1-5-18(2)12-13-7-8-15-19(3,14(13)11-16(18)21)9-6-10-20(15,4)17(22)23/h5,15-16,21H,1,6-12H2,2-4H3,(H,22,23)/t15-,16+,18-,19-,20-/m1/s1
InChIKeyYMYLSONMRJEVBJ-QQXMDYFESA-N
Species of MetaboliteComponentSourceComments
Metasequoia glyptostroboides (ncbitaxon:3371)
leaf (BTO:0000713) PubMed (21226514) 95% ethanolic extract of air-dried, powdered stems and leaves
stem (BTO:0001300) PubMed (21226514) 95% ethanolic extract of air-dried, powdered stems and leaves
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
12alpha-hydroxy-8,15-isopimaradien-18-oic acid (CHEBI:69962) has role metabolite (CHEBI:25212)
12alpha-hydroxy-8,15-isopimaradien-18-oic acid (CHEBI:69962) is a diterpenoid (CHEBI:23849)
Citations