CHEBI:173158 - Deacetylnomilin

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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 Deacetylnomilin
ChEBI ID CHEBI:173158
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H32O8
Net Charge 0
Average Mass 472.534
Monoisotopic Mass 472.20972
InChI InChI=1S/C26H32O8/c1-22(2)15-10-17(28)25(5)14(24(15,4)16(27)11-18(29)33-22)6-8-23(3)19(13-7-9-31-12-13)32-21(30)20-26(23,25)34-20/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
InChIKey HWAJASVMTDEFJN-MKBHYRRPSA-N
SMILES O1[C@@]23[C@]4([C@@]([C@@]5([C@@](CC4=O)(C(OC(=O)CC5O)(C)C)[H])C)(CC[C@]2([C@@H](OC(=O)[C@@]13[H])C=6C=COC6)C)[H])C
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in feces (BTO:0000440). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Deacetylnomilin (CHEBI:173158) is a limonoid (CHEBI:39434)
IUPAC Name
(1R,2R,4S,7S,8S,11R,12R,18R)-7-(uran-3-yl)-13-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosane-5,15,20-trione
Manual Xref Database
57261128 ChemSpider
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