CHEBI:80057 - Chivosazole A

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ChEBI Name Chivosazole A
ChEBI ID CHEBI:80057
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C49H71NO12
Net Charge 0
Average Mass 866.08750
Monoisotopic Mass 865.49763
InChI InChI=1S/C49H71NO12/c1-31-21-15-11-14-18-26-43(54)62-45(35(5)40(53)28-34(4)51)32(2)22-16-12-13-17-24-39(52)29-42(56-8)36(6)48-50-38(30-59-48)23-19-20-25-41(33(3)27-31)61-49-47(58-10)46(57-9)44(55)37(7)60-49/h11-27,30,32-37,39-42,44-47,49,51-53,55H,28-29H2,1-10H3/b13-12+,14-11+,21-15-,22-16-,23-19+,24-17+,25-20-,26-18-,31-27+/t32?,33?,34?,35?,36?,37-,39?,40?,41?,42?,44-,45?,46+,47-,49+/m1/s1
InChIKey OVMUGRSUGHRYEC-VJDNGFIESA-N
SMILES CO[C@H]1[C@H](OC2\C=C/C=C/c3coc(n3)C(C)C(CC(O)\C=C\C=C\C=C/C(C)C(OC(=O)\C=C/C=C/C=C\C(C)=C\C2C)C(C)C(O)CC(C)O)OC)O[C@H](C)[C@@H](O)[C@@H]1OC
ChEBI Ontology
Outgoing Chivosazole A (CHEBI:80057) is a glycoside (CHEBI:24400)
Manual Xrefs Databases
C00016576 KNApSAcK
C15728 KEGG COMPOUND
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