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CHEBI:184061 - Khivorin

ChEBI IDCHEBI:184061
ChEBI NameKhivorin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H42O10
Net Charge0
Average Mass586.678
Monoisotopic Mass586.27780
SMILES[H][C@]12CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@@]4([H])O[C@@]34[C@]1(C)[C@H](OC(C)=O)C[C@@]1([H])C(C)(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]21C
InChIInChI=1S/C32H42O10/c1-16(33)38-22-14-23(39-17(2)34)30(7)20-9-11-29(6)25(19-10-12-37-15-19)41-27(36)26-32(29,42-26)31(20,8)24(40-18(3)35)13-21(30)28(22,4)5/h10,12,15,20-26H,9,11,13-14H2,1-8H3/t20-,21+,22-,23+,24-,25+,26-,29+,30-,31+,32-/m1/s1
InChIKeyODLCLZLDYDHRGT-NEGPAABLSA-N
Species of MetaboliteComponentSourceComments
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)
Khivorin (CHEBI:184061) is a limonoid (CHEBI:39434)
IUPAC Name 
[(1S,2R,4S,7S,8S,11R,12S,13S,15R,17S,19R)-13,15-diacetyloxy-7-(uran-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-19-yl] acetate
Manual XrefsDatabases
10222058ChemSpider