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 C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O/C(=C\C[C@@H](CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C)/[C@@]1(C)O)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)CO[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSmilacaceaeSmilax riparia Ref.
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OrganismSmilax riparia
ReferenceLi,Chem.Pharm.Bull.,54,(2006),1451