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 O1[C@@H](OCCc2cc(c(cc2)OC)O)[C@@H](O)[C@@H]([C@@H]([C@@H]1COC(=O)/C=C/c1ccc(c(c1)O)OC)O)O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@@H]1O)CO)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaePicrorhiza scrophulariiflora PENNELL Ref.
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