input word = C00037849

Metabolite InformationStructural formula
Name Stipuleanoside R1
Formula C47H74O18
Mw 926.48751556
CAS RN 96627-79-1
C_ID C00037849 ,
InChIKey OIGBNBKGCWDSEQ-UHFFFAOYNA-N
InChICode InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-33(55)34(63-39-32(54)30(52)28(50)23(19-48)60-39)35(36(65-40)37(56)57)64-38-31(53)29(51)24(20-49)61-38/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)/t22-,23+,24+,25+,26+,27+,28-,29+,30+,31+,32+,33+,34+,35-,36-,38-,39-,40+,44-,45-,46+,47-/m0/s1
SMILES C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@]1(CC2)C)(CC[C@H]1[C@@]3(CC[C@H](C1(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O[C@H]1[C@@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O)CO)O)C)C)C(=O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
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