CHEBI:183958 - Tetrahydrogambogic 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 Tetrahydrogambogic acid
ChEBI ID CHEBI:183958
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H48O8
Net Charge 0
Average Mass 632.794
Monoisotopic Mass 632.33492
InChI InChI=1S/C38H48O8/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/h10-11,13-14,16,23,26-27,33,39,41H,9,12,15,17-19H2,1-8H3,(H,42,43)/b22-13-
InChIKey CXFIQFGADOTDPF-XKZIYDEJSA-N
SMILES O1C2(C34OC5=C(C(=O)C3CC(C2O)CC4C1(C)C)C(O)=C6C(OC(C=C6)(CCC=C(C)C)C)=C5CC=C(C)C)C/C=C(/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 Tetrahydrogambogic acid (CHEBI:183958) is a pyranoxanthones (CHEBI:71238)
IUPAC Name
(Z)-4-[12,18-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-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-methylbut-2-enoic acid
Manual Xref Database
8092922 ChemSpider
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