input word = C00056527

Metabolite InformationStructural formula
Name Mateglycoside C
Formula C41H66O13
Mw 766.4503422
CAS RN 1158228-12-6
C_ID C00056527
InChIKey SDDJGTIOADPLKP-RPWCCRIQSA-N
InChICode InChI=1S/C41H66O13/c1-20-11-14-41(36(50)54-35-33(49)31(47)30(46)26(17-42)52-35)16-15-39(5)27(40(41,6)21(20)2)9-8-24-22-7-10-28(53-34-32(48)29(45)25(44)18-51-34)37(3,19-43)23(22)12-13-38(24,39)4/h8,20-23,25-35,42-49H,7,9-19H2,1-6H3/t20-,21+,22-,23-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34+,35+,37+,38-,39-,40-,41-/m1/s1
SMILES C[C@]12[C@@](CC[C@@H](C)[C@@H]2C)(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)(CO)[C@@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)CC[C@@]6([H])C5=CC[C@@]41[H]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex paraguariensis Ref.
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