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CHEBI:147304 - smaditerpenic acid C

ChEBI IDCHEBI:147304
ChEBI Namesmaditerpenic acid C
Stars
DefinitionA diterpenoid isolated from the leaves of Smallanthus sonchifolius.
Last Modified4 May 2020
Submittermwilliams
DownloadsMolfile
FormulaC19H30O4
Net Charge0
Average Mass322.445
Monoisotopic Mass322.21441
SMILESC=C(C)CC/C(=C/CC/C(=C/CC/C(C)=C\CO)CO)C(=O)O
InChIInChI=1S/C19H30O4/c1-15(2)10-11-18(19(22)23)9-5-8-17(14-21)7-4-6-16(3)12-13-20/h7,9,12,20-21H,1,4-6,8,10-11,13-14H2,2-3H3,(H,22,23)/b16-12-,17-7-,18-9-
InChIKeyAWJBDWBMFANDQW-KKYKUXRWSA-N
Species of MetaboliteComponentSourceComments
Smallanthus sonchifolius (ncbitaxon:185202) leaf lamina (BTO:0000719) PubMed (21213966)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
smaditerpenic acid C (CHEBI:147304) has role plant metabolite (CHEBI:76924)
smaditerpenic acid C (CHEBI:147304) is a dihydroxy monocarboxylic acid (CHEBI:35972)
smaditerpenic acid C (CHEBI:147304) is a diterpenoid (CHEBI:23849)
smaditerpenic acid C (CHEBI:147304) is a olefinic compound (CHEBI:78840)
smaditerpenic acid C (CHEBI:147304) is a primary allylic alcohol (CHEBI:134394)
IUPAC Name 
(2Z,6Z,10Z)-12-hydroxy-6-(hydroxymethyl)-10-methyl-2-(3-methylbut-3-en-1-yl)dodeca-2,6,10-trienoic acid
Citations