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CHEBI:82527 - Ptaquiloside

ChEBI IDCHEBI:82527
ChEBI NamePtaquiloside
Stars
DownloadsMolfile
FormulaC20H30O8
Net Charge0
Average Mass398.452
Monoisotopic Mass398.19407
SMILES[H]C12C(=O)[C@H](C)C[C@@]1(O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C(C)C1(CC1)[C@@]2(C)O
InChIInChI=1S/C20H30O8/c1-9-6-20(28-17-15(25)14(24)13(23)11(8-21)27-17)7-10(2)19(4-5-19)18(3,26)16(20)12(9)22/h7,9,11,13-17,21,23-26H,4-6,8H2,1-3H3/t9-,11-,13-,14+,15-,16?,17+,18+,20-/m1/s1
InChIKeyGPHSJPVUEZFIDE-VGFVQWJBSA-N
ChEBI Ontology
Outgoing Relation(s)
Ptaquiloside (CHEBI:82527) is a glycoside (CHEBI:24400)
Synonym  Source
Braxin CKEGG COMPOUND
Manual XrefsDatabases
C19515KEGG COMPOUND
Registry NumbersSources
CAS:87625-62-5KEGG COMPOUND