CHEBI:81108 - Parishin B

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ChEBI Name Parishin B
ChEBI ID CHEBI:81108
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H40O19
Net Charge 0
Average Mass 728.64860
Monoisotopic Mass 728.21638
InChI InChI=1S/C32H40O19/c33-11-19-23(38)25(40)27(42)29(50-19)48-17-5-1-15(2-6-17)13-46-22(37)10-32(45,9-21(35)36)31(44)47-14-16-3-7-18(8-4-16)49-30-28(43)26(41)24(39)20(12-34)51-30/h1-8,19-20,23-30,33-34,38-43,45H,9-14H2,(H,35,36)/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30-,32?/m1/s1
InChIKey UNLDMOJTKKEMOG-IWOWLDPGSA-N
SMILES OC[C@H]1O[C@@H](Oc2ccc(COC(=O)CC(O)(CC(O)=O)C(=O)OCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing Parishin B (CHEBI:81108) is a glycoside (CHEBI:24400)
Manual Xref Database
C17465 KEGG COMPOUND
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