input word = C00044384

Metabolite InformationStructural formula
Name Wahlenoside C
(-)-Wahlenoside C
Formula C32H44O19
Mw 732.24767923
CAS RN 213008-48-1
C_ID C00044384 ,
InChIKey JKGFJKSBLHABGR-STVLYDPQNA-N
InChICode InChI=1S/C32H44O19/c1-15(34)48-20-11-32(44,10-18(36)24(20)39)30(43)51-31(2,12-22(37)46-4)13-23(38)47-7-5-6-16-8-17(35)28(19(9-16)45-3)50-29-27(42)26(41)25(40)21(14-33)49-29/h5-6,8-9,18,20-21,24-27,29,33,35-36,39-42,44H,7,10-14H2,1-4H3/b6-5+/t18-,20-,21-,24-,25-,26+,27-,29+,31+,32+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)Oc1c(OC)cc(cc1O)/C=C/COC(=O)C[C@](OC(=O)[C@]1(C[C@H]([C@@H]([C@@H](C1)O)O)OC(=O)C)O)(C)CC(=O)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCampanulaceae/LobeliaceaeWahlenbergia marginata Ref.
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OrganismWahlenbergia marginata
ReferenceTan,Phytochem.,48,(1998),1245