input word = C00034892

Metabolite InformationStructural formula
Name Scrovalentinoside
Formula C35H44O18
Mw 752.25276461
CAS RN 214981-42-7
C_ID C00034892 ,
InChIKey BARAUATXLYPTGX-FIFUAMSSNA-N
InChICode InChI=1S/C35H44O18/c1-15-27(50-22(40)10-7-18-5-8-19(44-4)9-6-18)29(47-16(2)38)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-/m1/s1
SMILES COc1ccc(/C=C/C(=O)O[C@H]2C(C)O[C@@H](O[C@H]3[C@@H]4C=COC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4[C@@]4(CO)O[C@@H]34)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeCamptoloma lyperiiflorum (Vatke) Hillard Ref.
PlantaeScrophulariaceaeScrophularia auriculata ssp. pseudo auriculata Ref.
PlantaeScrophulariaceaeScrophularia nodosa L. Ref.
zoom in



OrganismCamptoloma lyperiiflorum (Vatke) Hillard
ReferenceTaskova,Phytochem.,67,(2006),286