input word = C00035680

Metabolite InformationStructural formula
Name Marsdenoside C
(+)-Marsdenoside C
Formula C47H68O14
Mw 856.46090688
CAS RN 858360-58-4
C_ID C00035680 ,
InChIKey ZJAGLJQBUBRVHX-QKYMPMCONA-N
InChICode InChI=1S/C47H68O14/c1-10-24(2)41(51)58-38-39-44(6)19-17-30(57-33-23-32(53-8)36(27(5)55-33)59-43-35(50)37(54-9)34(49)26(4)56-43)22-29(44)16-20-46(39)47(61-46)21-18-31(25(3)48)45(47,7)40(38)60-42(52)28-14-12-11-13-15-28/h11-15,24,26-27,29-40,43,49-50H,10,16-23H2,1-9H3/t24-,26+,27+,29-,30-,31-,32+,33-,34+,35+,36+,37+,38-,39+,40+,43-,44-,45-,46-,47+/m0/s1
SMILES CCC(C)C(=O)O[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@]2(C)[C@H](C(C)=O)CC[C@@]23O[C@]32CC[C@H]3C[C@@H](O[C@H]4C[C@@H](OC)[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]5O)[C@@H](C)O4)CC[C@]3(C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMarsdenia tenacissima Ref.
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