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CHEBI:193201 - 1,7-DIDEACETOXY-1,7-DIOXO-3-DEACETYLKHIVORIN

ChEBI IDCHEBI:193201
ChEBI Name1,7-DIDEACETOXY-1,7-DIOXO-3-DEACETYLKHIVORIN
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O7
Net Charge0
Average Mass456.535
Monoisotopic Mass456.21480
SMILES[H][C@]12O[C@@]13[C@@](C)(CCC1[C@@]4(C)C(=O)C[C@@H](O)C(C)(C)C4CC(=O)[C@]13C)[C@H](c1ccoc1)OC2=O
InChIInChI=1S/C26H32O7/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/h7,9,12,14-16,19-20,27H,6,8,10-11H2,1-5H3/t14?,15?,16-,19+,20-,23+,24-,25+,26-/m1/s1
InChIKeyBSZLLSHGSWKZRE-IYLQSFRJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
1,7-DIDEACETOXY-1,7-DIOXO-3-DEACETYLKHIVORIN (CHEBI:193201) is a organic heterotricyclic compound (CHEBI:26979)
1,7-DIDEACETOXY-1,7-DIOXO-3-DEACETYLKHIVORIN (CHEBI:193201) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,2R,4S,7S,8S,12S,15R)-7-(uran-3-yl)-15-hydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecane-5,13,19-trione
Manual XrefsDatabases
5140776ChemSpider