input word = C00032813

Metabolite InformationStructural formula
Name Chiisanoside
Formula C48H74O19
Mw 954.48243018
CAS RN 89354-01-8
C_ID C00032813 ,
InChIKey JVLBOZIUMGNKQW-PYMCPJJNNA-N
InChICode InChI=1S/C48H74O19/c1-19(2)22-9-12-48(14-13-45(6)24(30(22)48)15-25-40-46(45,7)11-10-23(20(3)4)47(40,8)28(50)16-29(51)63-25)44(60)67-43-37(58)34(55)32(53)27(65-43)18-61-41-38(59)35(56)39(26(17-49)64-41)66-42-36(57)33(54)31(52)21(5)62-42/h21-28,30-43,49-50,52-59H,1,3,9-18H2,2,4-8H3/t21-,22-,23-,24+,25+,26+,27+,28+,30-,31-,32+,33+,34-,35+,36+,37+,38+,39+,40-,41+,42-,43-,45+,46+,47+,48-/m0/s1
SMILES C1C[C@@]2([C@H]3[C@]([C@@H]1C(=C)C)([C@@H](CC(=O)O[C@@H]3C[C@H]1[C@]2(CC[C@@]2([C@H]1[C@@H](CC2)C(=C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax chiisanensis Ref.
PlantaeAraliaceaeAcanthopanax divaricatus var.albeofructus C.S.YOOK et T.H.KIM Ref.
PlantaeAraliaceaeAcanthopanax senticosus Ref.
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