input word = C00038906

Metabolite InformationStructural formula
Name Cynarasaponin H
Formula C47H74O18
Mw 926.48751556
CAS RN 114006-82-5
C_ID C00038906 ,
InChIKey YTPBUIWNJRGZFW-UHFFFAOYNA-N
InChICode InChI=1S/C47H74O18/c1-42(2)14-16-47(41(59)65-39-34(56)30(52)29(51)24(19-48)61-39)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)62-40-36(32(54)31(53)35(63-40)37(57)58)64-38-33(55)28(50)23(49)20-60-38/h8,22-36,38-40,48-56H,9-20H2,1-7H3,(H,57,58)/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]1O[C@@H]([C@H]([C@H]([C@@H]1O[C@@H]1[C@H]([C@H]([C@@H](CO1)O)O)O)O)O)C(=O)O)C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCynara cardunculus Ref.
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