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CHEBI:183958 - Tetrahydrogambogic acid
| Formula | C38H48O8 |
| Net Charge | 0 |
| Average Mass | 632.794 |
| Monoisotopic Mass | 632.33492 |
| SMILES | CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(CC4CC1C(C)(C)OC2(C/C=C(/C)C(=O)O)C4O)C3=O |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nippostrongylus brasiliensis (ncbitaxon:27835) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3486) | |
| Mus musculus (ncbitaxon:10090) | small intestine (BTO:0000651) | MetaboLights (MTBLS3486) | Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Xrefs | Databases |
|---|---|
| 8092922 | ChemSpider |