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CHEBI:193326 - 1,3-DIDEACETYL-7-DEACETOXY-7-OXOKHIVORIN

ChEBI IDCHEBI:193326
ChEBI Name1,3-DIDEACETYL-7-DEACETOXY-7-OXOKHIVORIN
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O7
Net Charge0
Average Mass458.551
Monoisotopic Mass458.23045
SMILESCC1(C)C2CC(=O)[C@]3(C)C(CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)C5OC543)[C@@]2(C)[C@@H](O)C[C@H]1O
InChIInChI=1S/C26H34O7/c1-22(2)15-10-18(29)25(5)14(24(15,4)17(28)11-16(22)27)6-8-23(3)19(13-7-9-31-12-13)32-21(30)20-26(23,25)33-20/h7,9,12,14-17,19-20,27-28H,6,8,10-11H2,1-5H3/t14?,15?,16-,17+,19+,20?,23+,24-,25+,26?/m1/s1
InChIKeyBBSPXZBAZKHYLF-HUBYRZTESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
1,3-DIDEACETYL-7-DEACETOXY-7-OXOKHIVORIN (CHEBI:193326) is a organic heterotricyclic compound (CHEBI:26979)
1,3-DIDEACETYL-7-DEACETOXY-7-OXOKHIVORIN (CHEBI:193326) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,7S,8S,12S,13S,15R)-7-(uran-3-yl)-13,15-dihydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecane-5,19-dione
Manual XrefsDatabases
5140772ChemSpider