CHEBI:81109 - Parishin C

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ChEBI Name Parishin C
ChEBI ID CHEBI:81109
Stars This entity has been manually annotated by a third party.
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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(37)25(39)27(41)29(50-19)48-17-5-1-15(2-6-17)13-46-21(35)9-32(45,31(43)44)10-22(36)47-14-16-3-7-18(8-4-16)49-30-28(42)26(40)24(38)20(12-34)51-30/h1-8,19-20,23-30,33-34,37-42,45H,9-14H2,(H,43,44)/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30+,32?/m1/s1
InChIKey PMVCHAWVCIWVLP-YVZHTWNFSA-N
SMILES OC[C@H]1O[C@H](Oc2ccc(COC(=O)CC(O)(CC(=O)OCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)C(O)=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing Parishin C (CHEBI:81109) is a oligosaccharide (CHEBI:50699)
Manual Xref Database
C17466 KEGG COMPOUND
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