input word = C00036134

Metabolite InformationStructural formula
Name Lucilianoside D
(-)-Lucilianoside D
Formula C54H84O27
Mw 1164.51999748
CAS RN 652153-74-7
C_ID C00036134 ,
InChIKey QNSLDXRGMMBNKW-PUEXHEPSNA-N
InChICode InChI=1S/C54H84O27/c1-20-13-31(60)81-54(20)14-29(59)53(6)23-7-8-28-50(3,22(23)9-12-52(53,54)5)11-10-30(51(28,4)19-56)77-47-41(70)38(67)35(64)27(76-47)18-73-48-43(34(63)25(58)17-72-48)79-49-44(80-46-40(69)37(66)32(61)21(2)74-46)42(36(65)26(15-55)75-49)78-45-39(68)33(62)24(57)16-71-45/h20-21,24-28,30,32-49,55-58,61-70H,7-19H2,1-6H3/t20-,21+,24+,25+,26-,27-,28-,30+,32+,33+,34+,35-,36-,37-,38+,39-,40-,41-,42+,43-,44-,45+,46+,47+,48+,49+,50-,51-,52+,53-,54+/m1/s1
SMILES O([C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O[C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)[C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)CO)C[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H]([C@@]2(C)CO)CCC2=C3CC[C@]3([C@]2(C(=O)C[C@]23OC(=O)C[C@H]2C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeMuscari paradoxum Ref.
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