input word = C00031174

Metabolite InformationStructural formula
Name Riparoside A
(-)-Riparoside A
Formula C51H84O22
Mw 1048.54542437
CAS RN 922143-63-3
C_ID C00031174 ,
InChIKey MIFIATANNUYFKT-AYBXSUGRNA-N
InChICode InChI=1S/C51H84O22/c1-20(18-65-46-41(62)38(59)34(55)29(17-52)71-46)7-10-31-51(6,64)44-28(70-31)16-27-25-9-8-23-15-24(11-13-49(23,4)26(25)12-14-50(27,44)5)69-48-43(73-47-42(63)37(58)33(54)22(3)68-47)39(60)35(56)30(72-48)19-66-45-40(61)36(57)32(53)21(2)67-45/h10,20-30,32-48,52-64H,7-9,11-19H2,1-6H3/b31-10-/t20-,21-,22-,23-,24-,25+,26-,27-,28-,29+,30+,32-,33-,34+,35+,36+,37+,38-,39-,40+,41+,42+,43+,44-,45+,46+,47-,48+,49-,50-,51+/m0/s1
SMILES C[C@@H](C/C=C1O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](OC6O[C@H](CO[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@]1(C)O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSmilacaceaeSmilax riparia Ref.
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