input word = C00055931

Metabolite InformationStructural formula
Name Ilemaminoside A
Formula C35H56O8
Mw 604.39751876
CAS RN 1408381-14-5
C_ID C00055931
InChIKey MFIXLWYJTVEVGO-UTWQEZSCSA-N
InChICode InChI=1S/C35H56O8/c1-19-10-15-35(29(39)40)17-16-32(5)20(27(35)34(19,7)41)8-9-23-31(4)13-12-24(30(2,3)22(31)11-14-33(23,32)6)43-28-26(38)25(37)21(36)18-42-28/h8,19,21-28,36-38,41H,9-18H2,1-7H3,(H,39,40)/t19-,21-,22-,23+,24-,25-,26+,27+,28-,31-,32+,33+,34+,35-/m0/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]6OC[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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