input word = C00063677

Metabolite InformationStructural formula
Name Scropolioside A
Formula C35H44O18
Mw 752.25276461
CAS RN 116064-68-7
C_ID C00063677
InChIKey RRBUKTFTHGQFCF-MLFNGFKZSA-N
InChICode InChI=1S/C35H44O18/c1-15-27(47-16(2)38)29(50-22(40)10-7-18-5-8-19(44-4)9-6-18)30(48-17(3)39)34(46-15)51-28-20-11-12-45-32(23(20)35(14-37)31(28)53-35)52-33-26(43)25(42)24(41)21(13-36)49-33/h5-12,15,20-21,23-34,36-37,41-43H,13-14H2,1-4H3/b10-7+/t15-,20+,21+,23+,24+,25-,26+,27-,28-,29+,30+,31-,32-,33-,34-,35+/m0/s1
SMILES COc1ccc(C=CC(=O)OC2C(OC(C)=O)C(C)OC(OC3C4C=COC(OC5OC(CO)C(O)C(O)C5O)C4C4(CO)OC34)C2OC(C)=O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia auriculata Ref.
PlantaeScrophulariaceaeScrophularia lepidota Ref.
PlantaeScrophulariaceaeScrophularia scopolii Ref.
zoom in