input word = C00024144

Metabolite InformationStructural formula
Name Scroside A
Formula C37H50O21
Mw 830.28445866
CAS RN 211566-90-4
C_ID C00024144 ,
InChIKey QCWRXFOYRDQGNB-VCFWCYBSNA-N
InChICode InChI=1S/C37H50O21/c1-50-20-6-3-16(11-18(20)40)5-8-25(42)53-15-24-28(45)33(32(49)35(56-24)52-10-9-17-4-7-21(51-2)19(41)12-17)57-37-34(30(47)27(44)23(14-39)55-37)58-36-31(48)29(46)26(43)22(13-38)54-36/h3-8,11-12,22-24,26-41,43-49H,9-10,13-15H2,1-2H3/b8-5+/t22-,23+,24+,26-,27-,28-,29-,30-,31+,32+,33-,34+,35-,36+,37+/m1/s1
SMILES COc1ccc(/C=C/C(=O)OCC2O[C@@H](OCCc3ccc(OC)c(O)c3)[C@@H](O)C(O[C@@H]3OC(CO)[C@@H](O)C(O)[C@@H]3O[C@@H]3OC(CO)[C@@H](O)C(O)[C@@H]3O)[C@@H]2O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaePicrorhiza scrophulariiflora PENNELL Ref.
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