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CHEBI:212737 - 14-Deoxyandrographolide

ChEBI IDCHEBI:212737
ChEBI Name14-Deoxyandrographolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESC=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CCC1=CCOC1=O
InChIInChI=1S/C20H30O4/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/h9,15-17,21-22H,1,4-8,10-12H2,2-3H3/t15-,16+,17-,19+,20+/m1/s1
InChIKeyGVRNTWSGBWPJGS-YSDSKTICSA-N
Species of MetaboliteComponentSourceComments
Taiwanofungus camphoratus (ncbitaxon:2696576) - DOI (10.1039/p19730001247)
ChEBI Ontology
Outgoing Relation(s)
14-Deoxyandrographolide (CHEBI:212737) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-uran-5-one
Manual XrefsDatabases
9798909ChemSpider