input word = C00036135

Metabolite InformationStructural formula
Name Lucilianoside E
(-)-Lucilianoside E
Formula C59H92O31
Mw 1296.56225623
CAS RN 652153-77-0
C_ID C00036135 ,
InChIKey SJOMZGAEXUNLKA-WBOYTWMLNA-N
InChICode InChI=1S/C59H92O31/c1-21-13-33(66)90-59(21)14-31(65)58(6)24-7-8-30-55(3,23(24)9-12-57(58,59)5)11-10-32(56(30,4)20-62)85-50-44(77)41(74)38(71)29(84-50)19-80-52-46(35(68)25(63)17-78-52)88-54-48(89-49-43(76)40(73)34(67)22(2)81-49)45(39(72)28(16-61)83-54)86-53-47(36(69)26(64)18-79-53)87-51-42(75)37(70)27(15-60)82-51/h21-22,25-30,32,34-54,60-64,67-77H,7-20H2,1-6H3/t21-,22+,25+,26+,27+,28-,29-,30-,32+,34+,35+,36+,37+,38-,39-,40-,41+,42-,43-,44-,45+,46-,47-,48-,49+,50+,51+,52+,53+,54+,55-,56-,57+,58-,59+/m1/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](OC[C@H]4O[C@@H](O[C@H]5CC[C@]6(C)C7=C(CC[C@H]6[C@@]5(C)CO)[C@]5(C)C(=O)C[C@@]6(OC(=O)C[C@H]6C)[C@@]5(C)CC7)[C@H](O)[C@@H](O)[C@@H]4O)OC[C@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeMuscari paradoxum Ref.
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