CHEBI:80779 - Gambieric acid C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Gambieric acid C
ChEBI ID CHEBI:80779
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C65H100O19
Net Charge 0
Average Mass 1185.47810
Monoisotopic Mass 1184.68588
InChI InChI=1S/C65H100O19/c1-33(19-35(3)31-74-57(72)22-34(2)21-55(68)69)20-46-37(5)24-52-62(8,83-46)30-50-60(80-52)61(73)65(11)54(78-50)29-49-59(84-65)36(4)13-12-14-44-43(76-49)17-18-51-63(9,81-44)32-64(10)53(79-51)28-48-45(82-64)16-15-42(67)47(77-48)27-40(66)26-41-23-38(6)58(75-41)39(7)25-56(70)71/h12-13,19,34-36,38-54,58-61,66-67,73H,5,14-18,20-32H2,1-4,6-11H3,(H,68,69)(H,70,71)/b13-12-,33-19+/t34-,35+,36+,38+,39-,40+,41-,42-,43+,44-,45+,46-,47+,48-,49-,50-,51-,52-,53+,54+,58-,59+,60-,61+,62+,63+,64-,65+/m0/s1
InChIKey PAZSGUQEBJPONR-NMYRWGSKSA-N
SMILES C[C@@H](CC(O)=O)CC(=O)OC[C@H](C)\C=C(/C)C[C@@H]1O[C@]2(C)C[C@@H]3O[C@@H]4C[C@@H]5O[C@@H]6CC[C@@H]7O[C@@H]8C[C@@H]9O[C@H](C[C@H](O)C[C@@H]%10C[C@@H](C)[C@H](O%10)[C@@H](C)CC(O)=O)[C@@H](O)CC[C@H]9O[C@@]8(C)C[C@@]7(C)O[C@H]6C\C=C/[C@@H](C)[C@H]5O[C@@]4(C)[C@H](O)[C@H]3O[C@H]2CC1=C
ChEBI Ontology
Outgoing Gambieric acid C (CHEBI:80779) is a disaccharide (CHEBI:36233)
Manual Xref Database
C16887 KEGG COMPOUND
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