CHEBI:3826 - Colubrinoside

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ChEBI Name Colubrinoside
ChEBI ID CHEBI:3826
Stars This entity has been manually annotated by a third party.
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Formula C50H78O19
Net Charge 0
Average Mass 983.145
Monoisotopic Mass 982.51373
InChI InChI=1S/C50H78O19/c1-23(2)16-26-17-48(9,59)41-27-10-11-32-46(7)14-13-33(45(5,6)31(46)12-15-47(32,8)49(27)21-50(41,69-26)62-22-49)66-44-40(64-25(4)53)37(29(55)20-61-44)67-43-36(58)39(38(63-24(3)52)30(18-51)65-43)68-42-35(57)34(56)28(54)19-60-42/h16,26-44,51,54-59H,10-15,17-22H2,1-9H3/t26-,27+,28+,29-,30+,31-,32+,33-,34-,35+,36+,37-,38+,39+,40+,41-,42-,43-,44-,46-,47+,48-,49-,50-/m0/s1
InChIKey XZQXLJBNWHQGAB-OVVKAUKKSA-N
SMILES CC(=O)O[C@@H]1[C@@H](CO)O[C@@H](O[C@H]2[C@@H](O)CO[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC[C@@H]4[C@@H]6[C@]7(C[C@@]54CO7)O[C@H](C[C@]6(C)O)C=C(C)C)C3(C)C)[C@@H]2OC(C)=O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing Colubrinoside (CHEBI:3826) is a triterpenoid (CHEBI:36615)
Synonym Source
Colubrinoside KEGG COMPOUND
Manual Xrefs Databases
C00003511 KNApSAcK
C08937 KEGG COMPOUND
View more database links
Registry Number Type Source
87834-10-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014