CHEBI:168480 - Desoxylimonin

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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 Desoxylimonin
ChEBI ID CHEBI:168480
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H30O7
Net Charge 0
Average Mass 454.519
Monoisotopic Mass 454.19915
InChI InChI=1S/C26H30O7/c1-23(2)16-9-18(27)25(4)15(26(16)13-31-20(28)11-19(26)33-23)5-7-24(3)17(25)10-21(29)32-22(24)14-6-8-30-12-14/h6,8,10,12,15-16,19,22H,5,7,9,11,13H2,1-4H3
InChIKey QUTATOGBENCRSS-UHFFFAOYSA-N
SMILES O1C2C3(C4C(C=5C(CC4)(C(OC(=O)C5)C=6C=COC6)C)(C(=O)CC3C1(C)C)C)COC(=O)C2
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Desoxylimonin (CHEBI:168480) is a steroid lactone (CHEBI:26766)
IUPAC Name
18-(uran-3-yl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]henicos-14-ene-5,12,16-trione
Manual Xrefs Databases
90382 ChemSpider
HMDB0035031 HMDB
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Registry Number Type Source
989-23-1 CAS Registry Number ChemIDplus