input word = C00036929

Metabolite InformationStructural formula
Name Congmuyenoside A
Formula C48H78O19
Mw 958.51373031
CAS RN 171828-79-8
C_ID C00036929 ,
InChIKey IIJRVKCBZJDXQK-UHFFFAOYNA-N
InChICode InChI=1S/C48H78O19/c1-43(2)13-15-48(42(60)61)16-14-46(5)22(23(48)17-43)7-8-28-44(3)11-10-29(45(4,21-52)27(44)9-12-47(28,46)6)65-41-38(67-40-36(59)34(57)31(54)25(19-50)63-40)37(32(55)26(20-51)64-41)66-39-35(58)33(56)30(53)24(18-49)62-39/h7,23-41,49-59H,8-21H2,1-6H3,(H,60,61)/t23-,24-,25-,26+,27+,28-,29+,30+,31+,32+,33+,34+,35+,36-,37+,38+,39+,40-,41-,44+,45-,46-,47+,48+/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]([C@]1(CO)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)CO)O)O)O)O[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)O)CO)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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OrganismAralia elata
ReferenceSong,Phytochem.,56,(2001),491