input word = C00028513

Metabolite InformationStructural formula
Name Lycoperoside B
(23S)-23-Acetoxysoladulcidine
Formula C52H85NO23
Mw 1091.55123803
CAS RN 176300-86-0
C_ID C00028513 ,
InChIKey POWISKNFFRUCCW-GWOAPOINNA-N
InChICode InChI=1S/C52H85NO23/c1-20-12-33(68-22(3)57)52(53-15-20)21(2)34-29(76-52)14-27-25-7-6-23-13-24(8-10-50(23,4)26(25)9-11-51(27,34)5)69-47-42(66)39(63)43(32(18-56)72-47)73-49-45(75-48-41(65)38(62)36(60)30(16-54)70-48)44(37(61)31(17-55)71-49)74-46-40(64)35(59)28(58)19-67-46/h20-21,23-49,53-56,58-66H,6-19H2,1-5H3/t20-,21+,23+,24+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35+,36-,37-,38+,39+,40-,41-,42-,43+,44+,45-,46+,47-,48+,49+,50+,51+,52+/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@]2([C@H]1C)NC[C@@H](C[C@@H]2OC(=O)C)C)C)C)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeLycopersicon esculentum Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
PlantaeSolanaceaeSolanum lycopersicum Miller Ref.
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