input word = C00031324

Metabolite InformationStructural formula
Name Scrophuloside B
(-)-Scrophuloside B
Formula C24H26O10
Mw 474.15259705
CAS RN 886061-52-5
C_ID C00031324 ,
InChIKey ZZGQWDYMANCPTP-RERMYMEZNA-N
InChICode InChI=1S/C24H26O10/c1-13(25)15-5-7-16(8-6-15)33-24-23(30)22(29)21(28)19(34-24)12-32-20(27)10-4-14-3-9-17(26)18(11-14)31-2/h3-11,19,21-24,26,28-30H,12H2,1-2H3/b10-4+/t19-,21+,22+,23-,24-/m1/s1
SMILES COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3ccc(C(C)=O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeNeopicrorhiza scrophulariiflora Ref.
PlantaeScrophulariaceaeScrophularia ningpoensis Ref.
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