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CHEBI:69972 - 15-norlabda-8(20),12E-diene-14-carboxaldehyde-19-oic acid

ChEBI IDCHEBI:69972
ChEBI Name15-norlabda-8(20),12E-diene-14-carboxaldehyde-19-oic acid
Stars
DefinitionA natural product found in Metasequoia glyptostroboides.
Last Modified22 September 2014
DownloadsMolfile
FormulaC19H28O3
Net Charge0
Average Mass304.430
Monoisotopic Mass304.20384
SMILES[H][C@@]12CCC(=C)[C@H](C/C=C(\C)C=O)[C@@]1(C)CCC[C@]2(C)C(=O)O
InChIInChI=1S/C19H28O3/c1-13(12-20)6-8-15-14(2)7-9-16-18(15,3)10-5-11-19(16,4)17(21)22/h6,12,15-16H,2,5,7-11H2,1,3-4H3,(H,21,22)/b13-6+/t15-,16+,18+,19-/m0/s1
InChIKeyNBGCWDAYASHSEK-WCBDFPTQSA-N
Species of MetaboliteComponentSourceComments
Metasequoia glyptostroboides (ncbitaxon:3371)
stem (BTO:0001300) PubMed (21226514) 95% ethanolic extract of air-dried, powdered stems and leaves
leaf (BTO:0000713) 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)
15-norlabda-8(20),12E-diene-14-carboxaldehyde-19-oic acid (CHEBI:69972) has role metabolite (CHEBI:25212)
15-norlabda-8(20),12E-diene-14-carboxaldehyde-19-oic acid (CHEBI:69972) is a diterpenoid (CHEBI:23849)
Synonym  Source
(1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(E)-3-methyl-4-oxobut-2-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acidChEBI
Citations