input word = C00053337

Metabolite InformationStructural formula
Name Ilexasprellanosides D
Formula C36H56O11
Mw 664.38226263
CAS RN 1610418-30-8
C_ID C00053337
InChIKey PWXPWSCNXVCOCA-UEEWMQFVSA-N
InChICode InChI=1S/C36H56O11/c1-31(2)13-15-36(30(45)47-28-26(41)25(40)24(39)19(17-37)46-28)16-14-33(4)18(23(36)27(31)42)7-8-20-32(3)11-10-22(38)35(6,29(43)44)21(32)9-12-34(20,33)5/h7,19-28,37-42H,8-17H2,1-6H3,(H,43,44)/t19-,20-,21-,22+,23-,24-,25+,26-,27+,28+,32-,33-,34-,35+,36+/m1/s1
SMILES CC1(C)CC[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(O)=O)(C)[C@@H](O)CC[C@]6(C)[C@@]5([H])CC=C4[C@]2([H])[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex asprella Ref.
PlantaeAquifoliaceaeIlex pubescens Ref.
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