input word = C00031057

Metabolite InformationStructural formula
Name Platycoside F
(-)-Platycoside F
Formula C47H76O20
Mw 960.49299487
CAS RN 314756-03-1
C_ID C00031057 ,
InChIKey QIMBOUOMXGXUQK-ZENCNLOHNA-N
InChICode InChI=1S/C47H76O20/c1-20-29(54)32(57)34(59)38(63-20)65-36-30(55)24(52)17-62-40(36)67-41(61)47-12-11-42(2,3)13-22(47)21-7-8-26-43(4)14-23(51)37(66-39-35(60)33(58)31(56)25(16-48)64-39)46(18-49,19-50)27(43)9-10-44(26,5)45(21,6)15-28(47)53/h7,20,22-40,48-60H,8-19H2,1-6H3/t20-,22-,23-,24-,25+,26+,27+,28+,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-,40+,43+,44+,45+,47+/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)O)O)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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