input word = C00032816

Metabolite InformationStructural formula
Name Chikusetsusaponin V methyl ester
Formula C49H78O19
Mw 970.51373031
CAS RN 34291-22-0
C_ID C00032816 ,
InChIKey PYRYQDQZMLGNFX-OLKVMWOUNA-N
InChICode InChI=1S/C49H78O19/c1-44(2)15-17-49(43(61)68-41-36(59)32(55)30(53)25(21-51)64-41)18-16-47(6)22(23(49)19-44)9-10-27-46(5)13-12-28(45(3,4)26(46)11-14-48(27,47)7)65-42-38(34(57)33(56)37(66-42)39(60)62-8)67-40-35(58)31(54)29(52)24(20-50)63-40/h9,23-38,40-42,50-59H,10-21H2,1-8H3/t23-,24+,25+,26-,27+,28-,29-,30-,31-,32-,33-,34-,35+,36+,37-,38+,40-,41-,42+,46-,47+,48+,49-/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]([C@H](O1)CO)O)O)O)O)O)C(=O)OC)C)C)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAchyranthes bidentata Ref.
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OrganismAchyranthes bidentata
ReferenceMitaine-Offer,Chem.Pharm.Bull.,50,(2001),1492