input word = C00031055

Metabolite InformationStructural formula
Name Platycoside B
(-)-Platycoside B
Formula C54H86O25
Mw 1134.5458183
CAS RN 209404-09-1
C_ID C00031055 ,
InChIKey URXFZCDHIFETFG-UOCBGGSZNA-N
InChICode InChI=1S/C54H86O25/c1-22-40(76-44-37(67)33(63)27(60)18-71-44)39(69)42(74-23(2)58)47(73-22)77-41-34(64)28(61)19-72-46(41)79-48(70)54-13-12-49(3,4)14-25(54)24-8-9-30-50(5)15-26(59)43(78-45-38(68)36(66)35(65)29(17-55)75-45)53(20-56,21-57)31(50)10-11-51(30,6)52(24,7)16-32(54)62/h8,22,25-47,55-57,59-69H,9-21H2,1-7H3/t22-,25-,26-,27+,28-,29+,30+,31+,32+,33-,34-,35+,36-,37+,38+,39+,40-,41-,42+,43-,44-,45-,46-,47-,50-,51+,52+,54+/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)OC(=O)C)O)O)C)C)C)(CO)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCampanulaceae/LobeliaceaePlatycodon grandiflorum A.DC. Ref.
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