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CHEBI:69808 - 14-Deoxy-11,12-didehydroandrographolide

ChEBI IDCHEBI:69808
ChEBI Name14-Deoxy-11,12-didehydroandrographolide
Stars
DefinitionA natural product found in Andrographis paniculata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILES[H][C@]12CCC(=C)[C@@H](/C=C/C3=CCOC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO
InChIInChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5-6,9,15-17,21-22H,1,4,7-8,10-12H2,2-3H3/b6-5+/t15-,16+,17-,19+,20+/m1/s1
InChIKeyXMJAJFVLHDIEHF-CRBRZBHVSA-N
Species of MetaboliteComponentSourceComments
Andrographis paniculata (ncbitaxon:175694) leaf (BTO:0000713) PubMed (21598983)
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)
14-Deoxy-11,12-didehydroandrographolide (CHEBI:69808) has role metabolite (CHEBI:25212)
14-Deoxy-11,12-didehydroandrographolide (CHEBI:69808) is a diterpene lactone (CHEBI:49193)
Synonym  Source
3-{(E)-2-[(1R,4aS,5R,6R,8aR)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]vinyl}-2(5H)-furanoneChEBI
Citations