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CHEBI:197375 - Clerodanoid 482

Default Structure
ChEBI IDCHEBI:197375
ChEBI NameClerodanoid 482
Stars
DefinitionDerivative of Areptin B present in adults of Athalia rosae
Last Modified7 November 2024
Submitterntejera
DownloadsMolfile
FormulaC24H34O10
Net Charge0
Average Mass482.526
Monoisotopic Mass482.21520
SMILESCC(=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)C21CO1
InChIInChI=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
InChIKeyMTNLEHAERRYAAR-IPPYCWPQSA-N
Species of MetaboliteComponentSourceComments
Athalia rosae (ncbitaxon:37344) - MetaboLights (MTBLS7508)
ChEBI Ontology
Outgoing Relation(s)
Clerodanoid 482 (CHEBI:197375) is a organic molecular entity (CHEBI:50860)