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 C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2([C@@H]1O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O[C@@H]1OC[C@]([C@H]1O)(O)CO)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)C)CC[C@]1([C@H]3C(=O)[C@H]2[C@@H]1[C@@H]([C@@]1(O2)OC[C@@H]([C@@H]([C@@H]1O)O)C)CO)C)O
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