CHEBI:197375 - Clerodanoid 482

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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 482
ChEBI ID CHEBI:197375
Definition Derivative of Areptin B 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 C24H34O10
Net Charge 0
Average Mass 482.526
Monoisotopic Mass 482.21520
InChI InChI=1S/C24H34O10/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/h5-6,11,14-21,27-29H,7-10H2,1-4H3/t11-,14-,15?,16+,17-,18-,19-,20?,21+,22-,23-,24?/m1/s1
InChIKey MTNLEHAERRYAAR-IPPYCWPQSA-N
SMILES CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C3C[C@H]4C=CO[C@H]4O3)[C@H]1[C@H](O)[C@@H](O)C(O)C25CO5
Metabolite of Species Details
Athalia rosae See: MetaboLights Study
ChEBI Ontology
Outgoing Clerodanoid 482 (CHEBI:197375) is a organic molecular entity (CHEBI:50860)