CHEBI:197376 - Clerodanoid 484

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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 Clerodanoid 484
ChEBI ID CHEBI:197376
Definition Derivative of Areptin A present in adults of Athalia rosae
Stars This entity has been manually annotated by a third party.
Submitter Noemi Tejera
Supplier Information
Download Molfile XML SDF
Formula C24H36O10
Net Charge 0
Average Mass 484.542
Monoisotopic Mass 484.23085
InChI InChI=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
InChIKey PEGZXMCXQKOLQM-IPPYCWPQSA-N
SMILES C[C@@]1(C[C@@]([H])([C@]2(COC(C)=O)[C@@]([C@@]([H])([C@]([H])(C([H])(C32CO3)O)O)O)([H])[C@@]1(C)C4(C[C@]5(CCO[C@@]5([H])O4)[H])[H])OC(C)=O)[H]
Metabolite of Species Details
Athalia rosae See: MetaboLights Study
ChEBI Ontology
Outgoing Clerodanoid 484 (CHEBI:197376) is a organic molecular entity (CHEBI:50860)