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CHEBI:195262 - ipecoside aglycone

ChEBI IDCHEBI:195262
ChEBI Nameipecoside aglycone
Stars
Last Modified8 February 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC21H25NO7
Net Charge0
Average Mass403.431
Monoisotopic Mass403.16310
SMILES[H][C@]1(C=C)[C@H](O)OC=C(C(=O)OC)[C@@]1([H])C[C@]1([H])c2cc(O)c(O)cc2CCN1C(C)=O
InChIInChI=1S/C21H25NO7/c1-4-13-15(16(20(26)28-3)10-29-21(13)27)8-17-14-9-19(25)18(24)7-12(14)5-6-22(17)11(2)23/h4,7,9-10,13,15,17,21,24-25,27H,1,5-6,8H2,2-3H3/t13-,15+,17-,21-/m1/s1
InChIKeyFEADSTKHIJOQFA-ZKXXJIQUSA-N
ChEBI Ontology
Outgoing Relation(s)
ipecoside aglycone (CHEBI:195262) is a terpenoid (CHEBI:26873)
Incoming Relation(s)
ipecoside (CHEBI:5952) has functional parent ipecoside aglycone (CHEBI:195262)
UniProt Name  Source
ipecoside aglyconeUniProt
Manual XrefsDatabases
CPD-26392MetaCyc