input word = C00031059

Metabolite InformationStructural formula
Name Platycoside H
Formula C58H94O28
Mw 1238.59316242
CAS RN 899447-60-0
C_ID C00031059 ,
InChIKey DKIGZSBNJWHJEA-LYXBHDIWNA-N
InChICode InChI=1S/C58H94O28/c1-22-44(83-48-40(72)33(65)26(62)18-77-48)39(71)43(75)49(80-22)84-45-34(66)27(63)19-78-51(45)86-52(76)58-13-12-53(2,3)14-24(58)23-8-9-31-54(4)15-25(61)46(55(5,21-60)30(54)10-11-56(31,6)57(23,7)16-32(58)64)85-50-42(74)38(70)36(68)29(82-50)20-79-47-41(73)37(69)35(67)28(17-59)81-47/h8,22,24-51,59-75H,9-21H2,1-7H3/t22-,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+,54-,55-,56+,57+,58+/m0/s1
SMILES [C@H]1([C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@H]1OC[C@@H]([C@@H]([C@@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O)O)C)C)C)(C)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCampanulaceae/LobeliaceaePlatycodon grandiflorum A.DC. Ref.
zoom in