input word = C00030469

Metabolite InformationStructural formula
Name Hemsgiganoside B
Formula C48H76O19
Mw 956.49808025
CAS RN 203514-06-1
C_ID C00030469 ,
InChIKey DSDNRWZSZQHXFQ-DUENAYERNA-N
InChICode InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-35(57)31(53)29(51)24(64-40)20-62-39-34(56)30(52)28(50)23(19-49)63-39)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)65-41-36(58)32(54)33(55)37(66-41)38(59)60/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,39+,40-,41+,45-,46+,47+,48-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(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)O)O)C)C)C)(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax senticosus Ref.
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OrganismAcanthopanax senticosus
ReferenceLi,Chem.Pharm.Bull.,55,(2007),1087