CHEBI:173204 - Leontogenin

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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 Leontogenin
ChEBI ID CHEBI:173204
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H42O5
Net Charge 0
Average Mass 446.628
Monoisotopic Mass 446.30322
InChI InChI=1S/C27H42O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)11-19-22-18(7-8-24(19,23)3)25(4)9-6-17(29)12-26(25,30)20(22)13-28/h13,15-23,29-30H,5-12,14H2,1-4H3
InChIKey GKGKOBNJESCNOE-UHFFFAOYSA-N
SMILES O1C2C(C3(C(C4C(C5(C(O)(C4C=O)CC(O)CC5)C)CC3)C2)C)C(C16OCC(CC6)C)C
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in feces (BTO:0000440). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Leontogenin (CHEBI:173204) is a ketal (CHEBI:59777)
IUPAC Name
16,18-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.7.0.02,9.04,8.013,18]nonadecane-6,2'-oxane]-19-carbaldehyde
Manual Xrefs Databases
35013634 ChemSpider
HMDB0033583 HMDB
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