CHEBI:184061 - Khivorin

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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 Khivorin
ChEBI ID CHEBI:184061
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H42O10
Net Charge 0
Average Mass 586.678
Monoisotopic Mass 586.27780
InChI InChI=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
InChIKey ODLCLZLDYDHRGT-NEGPAABLSA-N
SMILES O1[C@@]23[C@]4([C@@]([C@@]5([C@@](C[C@H]4OC(=O)C)(C([C@H](OC(=O)C)C[C@@H]5OC(=O)C)(C)C)[H])C)(CC[C@]2([C@@H](OC(=O)[C@@]13[H])C=6C=COC6)C)[H])C
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 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 Xref Database
10222058 ChemSpider
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