input word = C00030698

Metabolite InformationStructural formula
Name Lycoperoside G
Formula C58H95NO29
Mw 1269.59897608
CAS RN 675828-27-0
C_ID C00030698 ,
InChIKey AFHWRWXCMNWXMK-CIRIXJNANA-N
InChICode InChI=1S/C58H95NO29/c1-20-14-59-58(50(78-22(3)64)46(20)84-53-43(74)39(70)36(67)30(15-60)80-53)21(2)34-29(88-58)13-27-25-7-6-23-12-24(8-10-56(23,4)26(25)9-11-57(27,34)5)79-52-45(76)41(72)47(33(18-63)83-52)85-55-49(87-54-44(75)40(71)37(68)31(16-61)81-54)48(38(69)32(17-62)82-55)86-51-42(73)35(66)28(65)19-77-51/h20-21,23-55,59-63,65-76H,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+,53-,54+,55-,56-,57-,58-/m0/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@H]([C@@H]2OC(=O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)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 var.cerasiforme (DUNAL) ALEF. Ref.
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