input word = C00034064

Metabolite InformationStructural formula
Name Mukurozisaponin E1
Formula C48H76O17
Mw 924.508251
CAS RN 87733-78-6
C_ID C00034064 ,
InChIKey ZIRMNOUZKRFCMK-UYXXTPJCNA-N
InChICode InChI=1S/C48H76O17/c1-23-32(52)37(64-39-35(55)34(54)28(21-60-39)62-24(2)50)36(56)40(61-23)65-38-33(53)27(51)20-59-41(38)63-31-12-13-44(5)29(45(31,6)22-49)11-14-47(8)30(44)10-9-25-26-19-43(3,4)15-17-48(26,42(57)58)18-16-46(25,47)7/h9,23,26-41,49,51-56H,10-22H2,1-8H3,(H,57,58)/t23-,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[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)C)C)(C)CO)O[C@H]1OC[C@@H]([C@@H]([C@@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)OC(=O)C)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
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