input word = C00055932

Metabolite InformationStructural formula
Name Ilexasoside A
Formula C37H58O10
Mw 662.40299807
CAS RN 1361000-64-7
C_ID C00055932
InChIKey MVNDELOPLPPJLI-CYYRADHFSA-N
InChICode InChI=1S/C37H58O10/c1-19-11-16-37(31(42)43)18-17-34(5)20(28(37)36(19,7)44)9-10-22-33(4)14-13-23(32(2,3)21(33)12-15-35(22,34)6)46-30-26(40)24(38)25(39)27(47-30)29(41)45-8/h9,19,21-28,30,38-40,44H,10-18H2,1-8H3,(H,42,43)/t19-,21+,22-,23+,24+,25+,26-,27+,28-,30-,33+,34-,35-,36-,37+/m1/s1
SMILES C[C@@H]1CC[C@]2(C(O)=O)CC[C@@]3(C)[C@]4(C)CC[C@@]5([H])C(C)(C)[C@@H](O[C@@H]6O[C@H](C(OC)=O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@@]4([H])CC=C3[C@]2([H])[C@@]1(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex asprella Ref.
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