CHEBI:80061 - Chivosazole E

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ChEBI Name Chivosazole E
ChEBI ID CHEBI:80061
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C46H65NO12
Net Charge 0
Average Mass 824.00780
Monoisotopic Mass 823.45068
InChI InChI=1S/C46H65NO12/c1-28-18-12-8-11-15-23-40(52)59-44(32(5)37(50)25-31(4)48)29(2)19-13-9-10-14-21-36(49)26-38(51)33(6)45-47-35(27-56-45)20-16-17-22-39(30(3)24-28)58-46-43(55)42(54)41(53)34(7)57-46/h8-24,27,29-34,36-39,41-44,46,48-51,53-55H,25-26H2,1-7H3/b10-9+,11-8+,18-12-,19-13-,20-16+,21-14+,22-17-,23-15-,28-24+/t29?,30?,31?,32?,33?,34-,36?,37?,38?,39?,41-,42+,43-,44?,46+/m1/s1
InChIKey UMUMBLZPRQHELQ-JMZWMVLASA-N
SMILES CC(O)CC(O)C(C)C1OC(=O)\C=C/C=C/C=C\C(C)=C\C(C)C(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)\C=C/C=C/c2coc(n2)C(C)C(O)CC(O)\C=C\C=C\C=C/C1C
ChEBI Ontology
Outgoing Chivosazole E (CHEBI:80061) is a glycoside (CHEBI:24400)
Manual Xref Database
C15732 KEGG COMPOUND
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