input word = C00034977

Metabolite InformationStructural formula
Name Scropolioside D
Scrospioside A
Formula C34H42O17
Mw 722.24219992
CAS RN 148000-43-5
C_ID C00034977 ,
InChIKey XTDOKCBBQODVJW-MDZDMXLPNA-N
InChICode InChI=1S/C34H42O17/c1-15-26(45-16(2)37)28(48-21(39)10-9-18-7-5-4-6-8-18)29(46-17(3)38)33(44-15)49-27-19-11-12-43-31(22(19)34(14-36)30(27)51-34)50-32-25(42)24(41)23(40)20(13-35)47-32/h4-12,15,19-20,22-33,35-36,40-42H,13-14H2,1-3H3/b10-9+/t15-,19+,20-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34-/m1/s1
SMILES CC(=O)OC1C(C)OC(OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)C(OC(C)=O)C1OC(=O)/C=C/c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia amplexicaulis Ref.
PlantaeScrophulariaceaeScrophularia deserti Ref.
PlantaeScrophulariaceaeScrophularia ilwensis Ref.
PlantaeScrophulariaceaeScrophularia oxysepala Ref.
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