CHEBI:81382 - Rindoside

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ChEBI Name Rindoside
ChEBI ID CHEBI:81382
Stars This entity has been manually annotated by a third party.
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Formula C35H42O21
Net Charge 0
Average Mass 798.69540
Monoisotopic Mass 798.22186
InChI InChI=1S/C35H42O21/c1-5-18-32(49-12-19-31(45)47-10-9-35(18,19)46)56-34-29(51-16(4)39)28(50-15(3)38)27(22(54-34)13-48-14(2)37)55-30(44)17-7-6-8-20(23(17)40)52-33-26(43)25(42)24(41)21(11-36)53-33/h5-8,12,18,21-22,24-29,32-34,36,40-43,46H,1,9-11,13H2,2-4H3/t18-,21+,22+,24+,25-,26+,27+,28-,29+,32-,33+,34-,35+/m0/s1
InChIKey XINNQYBYFFJBAM-OBOKACSWSA-N
SMILES CC(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(=O)OCC[C@@]3(O)[C@H]2C=C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(=O)c1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
ChEBI Ontology
Outgoing Rindoside (CHEBI:81382) is a glycoside (CHEBI:24400)
Manual Xref Database
C17919 KEGG COMPOUND
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