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CHEBI:197376 - Clerodanoid 484

Default Structure
ChEBI IDCHEBI:197376
ChEBI NameClerodanoid 484
Stars
DefinitionDerivative of Areptin A present in adults of Athalia rosae
Submitterntejera
DownloadsMolfile
FormulaC24H36O10
Net Charge0
Average Mass484.542
Monoisotopic Mass484.23085
SMILES[H]C1([C@]2(C)[C@@]3([H])[C@]([H])(O)[C@@]([H])(O)C([H])(O)C4(CO4)[C@]3(COC(C)=O)[C@@]([H])(OC(C)=O)C[C@@]2([H])C)C[C@@]2([H])CCO[C@@]2([H])O1
InChIInChI=1S/C24H36O10/c1-11-7-16(33-13(3)26)23(9-31-12(2)25)19(17(27)18(28)20(29)24(23)10-32-24)22(11,4)15-8-14-5-6-30-21(14)34-15/h11,14-21,27-29H,5-10H2,1-4H3/t11-,14-,15?,16+,17-,18-,19-,20?,21+,22-,23-,24?/m1/s1
InChIKeyPEGZXMCXQKOLQM-IPPYCWPQSA-N
Species of MetaboliteComponentSourceComments
Athalia rosae- MetaboLights (MTBLS7508)
ChEBI Ontology
Outgoing Relation(s)
Clerodanoid 484 (CHEBI:197376) is a organic molecular entity (CHEBI:50860)