input word = C00031063

Metabolite InformationStructural formula
Name Platycoside L
Formula C42H68O17
Mw 844.44565075
CAS RN 899447-65-5
C_ID C00031063 ,
InChIKey NVFXXKZKCWJLMJ-UHWPVFGLNA-N
InChICode InChI=1S/C42H68O17/c1-37(2)10-11-42(36(54)55)20(12-37)19-6-7-24-38(3)13-21(46)33(41(17-44,18-45)25(38)8-9-39(24,4)40(19,5)14-26(42)47)59-35-32(53)30(51)28(49)23(58-35)16-56-34-31(52)29(50)27(48)22(15-43)57-34/h6,20-35,43-53H,7-18H2,1-5H3,(H,54,55)/t20-,21-,22+,23+,24+,25+,26+,27+,28+,29-,30-,31?,32+,33-,34+,35-,38+,39+,40+,42+/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)C)C)(CO)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.
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OrganismPlatycodon grandiflorum A.DC.
ReferenceFu,Chem.Pharm.Bull.,54,(2006),557