CHEBI:82527 - Ptaquiloside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Ptaquiloside
ChEBI ID CHEBI:82527
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H30O8
Net Charge 0
Average Mass 398.44740
Monoisotopic Mass 398.194
InChI InChI=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
InChIKey GPHSJPVUEZFIDE-VGFVQWJBSA-N
SMILES C[C@@H]1C[C@@]2(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C(C)C3(CC3)[C@@](C)(O)C2C1=O
ChEBI Ontology
Outgoing Ptaquiloside (CHEBI:82527) is a glycoside (CHEBI:24400)
Synonym Source
Braxin C KEGG COMPOUND
Manual Xref Database
C19515 KEGG COMPOUND
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Registry Number Type Source
87625-62-5 CAS Registry Number KEGG COMPOUND