input word = C00003511

Metabolite InformationStructural formula
Name Colubrinoside
Formula C50H78O19
Mw 982.51373031
CAS RN 87834-10-4
C_ID C00003511 ,
InChIKey XZQXLJBNWHQGAB-XMUUJKHHNA-N
InChICode 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
SMILES CC(=O)OC1[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@@H]5[C@@H]6[C@]7(C[C@@]5(CO7)[C@]4(C)CC[C@H]3C2(C)C)O[C@@H](C=C(C)C)C[C@]6(C)O)OC[C@H](O)[C@@H]1O[C@@H]1OC(CO)[C@@H](OC(C)=O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)C2O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeColubrina asiatica Ref.
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OrganismColubrina asiatica
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter53