input word = C00002248

Metabolite InformationStructural formula
Name Demissine
Formula C50H83NO20
Mw 1017.5508441
CAS RN 6077-69-6
C_ID C00002248 ,
InChIKey KWRYHKRVKRBBBU-QYPWJLRPNA-N
InChICode InChI=1S/C50H83NO20/c1-20-5-8-27-21(2)33-28(51(27)15-20)14-26-24-7-6-22-13-23(9-11-49(22,3)25(24)10-12-50(26,33)4)65-46-41(63)38(60)42(32(18-54)68-46)69-48-44(71-47-40(62)37(59)35(57)30(16-52)66-47)43(36(58)31(17-53)67-48)70-45-39(61)34(56)29(55)19-64-45/h20-48,52-63H,5-19H2,1-4H3/t20-,21-,22+,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+/m1/s1
SMILES [C@H]1(O[C@@H]2[C@@H]([C@H]([C@H](O[C@H]2CO)O[C@@H]2C[C@H]3[C@](CC2)([C@@H]2[C@@H](CC3)[C@H]3[C@](CC2)([C@@H]2[C@H](C3)N3[C@H]([C@H]2C)CC[C@H](C3)C)C)C)O)O)[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]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium oreophilum Huth. Ref.
PlantaeSolanaceaeLycopersicon pimpinellifolium Ref.
PlantaeSolanaceaeSolanum cartilobum Ref.
PlantaeSolanaceaeSolanum chacoense Ref.
PlantaeSolanaceaeSolanum commersonii Ref.
PlantaeSolanaceaeSolanum decemlineata Ref.
PlantaeSolanaceaeSolanum demissum Ref.
PlantaeSolanaceaeSolanum deporum Ref.
PlantaeSolanaceaeSolanum horoviteii Ref.
PlantaeSolanaceaeSolanum jamesii Ref.
PlantaeSolanaceaeSolanum juzepczukii Ref.
zoom in