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CHEBI:68086 - 16-hydroxyisopimar-7-en-19-oic acid

ChEBI IDCHEBI:68086
ChEBI Name16-hydroxyisopimar-7-en-19-oic acid
Stars
DefinitionA diterpenoid that is isopimar-7-ene substituted by a carboxy group at position 19 and a hydroxy group at position 16. It has been isolated from the fungus, Xylaria species.
Last Modified21 January 2014
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILES[H][C@@]12CC=C3C[C@@](C)(CCO)CC[C@]3([H])[C@@]1(C)CCC[C@]2(C)C(=O)O
InChIInChI=1S/C20H32O3/c1-18(11-12-21)10-7-15-14(13-18)5-6-16-19(15,2)8-4-9-20(16,3)17(22)23/h5,15-16,21H,4,6-13H2,1-3H3,(H,22,23)/t15-,16+,18+,19+,20-/m0/s1
InChIKeyFQUSLEQFAZWKIA-MSJBJCGKSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (21428374) Endolichenic fungi isolated from Leptogium saturninum and EtOAc extract of fermented rice substrate
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
16-hydroxyisopimar-7-en-19-oic acid (CHEBI:68086) has parent hydride isopimarane (CHEBI:77046)
16-hydroxyisopimar-7-en-19-oic acid (CHEBI:68086) has role fungal metabolite (CHEBI:76946)
16-hydroxyisopimar-7-en-19-oic acid (CHEBI:68086) is a diterpenoid (CHEBI:23849)
16-hydroxyisopimar-7-en-19-oic acid (CHEBI:68086) is a hydroxy monocarboxylic acid (CHEBI:35868)
IUPAC Name 
(13α)-16-hydroxypimar-7-en-19-oic acid
Registry NumbersSources
Reaxys:20232458Reaxys
Citations