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 C1=C[C@H]2[C@H]([C@H](O1)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@]1([C@H]([C@H]2O[C@H]2[C@@H]([C@@H]([C@H]([C@H](O2)C)OC(=O)/C=C/c2ccc(cc2)OC)OC(=O)C)OC(=O)C)O1)CO
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.
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