input word = C00046575

Metabolite InformationStructural formula
Name 24-Hydroxychiisanoside
(-)-24-Hydroxychiisanoside
Formula C48H74O20
Mw 970.47734481
CAS RN 313944-75-1
C_ID C00046575 ,
InChIKey SQBNDIOPWYEOSG-IKERYRTONA-N
InChICode InChI=1S/C48H74O20/c1-20(2)23-7-10-48(12-11-45(4)25(32(23)48)14-27-40-46(45,5)9-8-24(21(3)16-49)47(40,6)30(52)15-31(53)64-27)44(61)68-43-37(58)35(56)33(54)29(67-43)19-62-42-38(59)36(57)39(28(18-51)66-42)65-26-13-22(17-50)63-41(60)34(26)55/h22-30,32-43,49-52,54-60H,1,3,7-19H2,2,4-6H3/t22-,23-,24-,25+,26+,27+,28+,29+,30+,32-,33+,34-,35-,36+,37+,38+,39+,40-,41+,42?,43-,45+,46+,47+,48-/m0/s1
SMILES C1(=O)C[C@H]([C@@]2([C@H]3[C@H](O1)C[C@H]1[C@]([C@@]3(CC[C@H]2C(=C)CO)C)(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]1C[C@H](O[C@H]([C@H]1O)O)CO)O)O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax senticosus forma inermis Ref.
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OrganismAcanthopanax senticosus forma inermis
ReferencePark,J.Nat.Prod.,63,(2000),1630