CHEBI:183912 - Decahydrogambogic acid

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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 Decahydrogambogic acid
ChEBI ID CHEBI:183912
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H54O8
Net Charge 0
Average Mass 638.842
Monoisotopic Mass 638.38187
InChI InChI=1S/C38H54O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h14,16,20-23,26-27,33,39,41H,9-13,15,17-19H2,1-8H3,(H,42,43)
InChIKey ZZGVJHSBRGZEML-UHFFFAOYSA-N
SMILES O1C2(C34OC5=C(C(=O)C3CC(C2O)CC4C1(C)C)C(O)=C6C(OC(C=C6)(CCCC(C)C)C)=C5CCC(C)C)CCC(C)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing Decahydrogambogic acid (CHEBI:183912) is a pyranoxanthones (CHEBI:71238)
IUPAC Name
4-[12,18-dihydroxy-8,21,21-trimethyl-5-(3-methylbutyl)-8-(4-methylpentyl)-14-oxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbutanoic acid
Manual Xref Database
4322662 ChemSpider
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