input word = C00032415

Metabolite InformationStructural formula
Name Trikamsteroside D
Formula C48H74O24
Mw 1034.4570033
CAS RN 952579-36-1
C_ID C00032415 ,
InChIKey FAMHVDBYLLBZKI-VKLKLPAWNA-N
InChICode InChI=1S/C48H74O24/c1-17-12-66-48(39(60)29(17)54)23(11-49)28-36(72-48)32(57)27-21-6-5-19-9-20(51)10-26(46(19,4)22(21)7-8-45(27,28)3)68-43-38(35(25(53)14-64-43)69-41-33(58)31(56)24(52)13-63-41)71-42-34(59)37(30(55)18(2)67-42)70-44-40(61)47(62,15-50)16-65-44/h5,17-18,20-31,33-44,49-56,58-62H,6-16H2,1-4H3/t17-,18-,20+,21+,22-,23-,24+,25-,26+,27+,28-,29-,30-,31-,33+,34+,35-,36+,37+,38+,39-,40-,41-,42-,43-,44-,45-,46-,47+,48-/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3C[C@H](O)CC4=CC[C@H]5[C@@H]6C(=O)[C@@H]7O[C@@]8(OC[C@H](C)[C@H](O)[C@@H]8O)[C@@H](CO)[C@@H]7[C@@]6(C)CC[C@@H]5[C@]43C)OC[C@H](O)[C@@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTrilliaceaeTrillium kamtschaticum PALL. Ref.
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OrganismTrillium kamtschaticum PALL.
ReferenceOno,Chem.Pharm.Bull.,55,(2007),1093