CHEBI:212737 - 14-Deoxyandrographolide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 14-Deoxyandrographolide
ChEBI ID CHEBI:212737
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O4
Net Charge 0
Average Mass 334.456
Monoisotopic Mass 334.21441
InChI InChI=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
InChIKey GVRNTWSGBWPJGS-YSDSKTICSA-N
SMILES O=C1OCC=C1CC[C@@H]2C(=C)CC[C@H]3[C@]2(CC[C@H]([C@]3(CO)C)O)C
Metabolite of Species Details
Taiwanofungus camphoratus (NCBI:txid2696576) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
9798909 ChemSpider
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