input word = C00053913

Metabolite InformationStructural formula
Name Ziyuglycoside I
Formula C41H66O13
Mw 766.4503422
CAS RN 35286-58-9
C_ID C00053913
InChIKey WCHBFWOEFOZHMK-MLHVESHNSA-N
InChICode InChI=1S/C41H66O13/c1-20-10-15-41(35(49)54-34-31(48)29(46)28(45)23(18-42)52-34)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-33-30(47)27(44)22(43)19-51-33/h8,20,22-34,42-48,50H,9-19H2,1-7H3/t20-,22+,23-,24+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1
SMILES C[C@@H]1CC[C@]2(C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=O)CC[C@@]4(C)[C@]5(C)CC[C@@]6([H])C(C)(C)[C@@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@@]5([H])CC=C4[C@]2([H])[C@@]1(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex asprella Ref.
PlantaeAquifoliaceaeIlex pubescens Ref.
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