input word = C00031064

Metabolite InformationStructural formula
Name Platycoside M-2
Formula C47H72O20
Mw 956.46169474
CAS RN 917482-68-9
C_ID C00031064 ,
InChIKey AMFATATVKIIQQF-BUHFBGKBNA-N
InChICode InChI=1S/C47H72O20/c1-19-28(52)31(55)33(57)37(62-19)65-35-29(53)22(50)17-61-39(35)67-40(59)46-12-11-42(2,3)13-21(46)20-7-8-25-43(4)14-23-36(66-38-34(58)32(56)30(54)24(16-48)63-38)47(18-49,41(60)64-23)26(43)9-10-44(25,5)45(20,6)15-27(46)51/h7,19,21-39,48-58H,8-18H2,1-6H3/t19-,21-,22-,23?,24+,25+,26+,27+,28-,29+,30+,31+,32-,33+,34+,35+,36-,37-,38-,39-,43+,44+,45+,46+,47-/m0/s1
SMILES [C@@H]12[C@@H]([C@]([C@H]3[C@](C1)([C@@H]1[C@@](CC3)([C@]3(C(=CC1)[C@H]1[C@@]([C@@H](C3)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)O)O)O)O)C)C)C)(C(=O)O2)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCampanulaceae/LobeliaceaePlatycodon grandiflorum A.DC. Ref.
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