input word = C00024145

Metabolite InformationStructural formula
Name Scroside B
Formula C31H40O16
Mw 668.23163523
CAS RN 211566-91-5
C_ID C00024145 ,
InChIKey PPDZZRKVJAZQSX-CFICOBBVNA-N
InChICode InChI=1S/C31H40O16/c1-41-19-6-3-15(11-17(19)33)5-8-23(35)44-14-22-25(37)29(47-31-27(39)26(38)24(36)21(13-32)45-31)28(40)30(46-22)43-10-9-16-4-7-20(42-2)18(34)12-16/h3-8,11-12,21-22,24-34,36-40H,9-10,13-14H2,1-2H3/b8-5+/t21-,22-,24-,25-,26+,27+,28+,29+,30-,31+/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]2O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaePicrorhiza scrophulariiflora PENNELL Ref.
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