input word = C00034556

Metabolite InformationStructural formula
Name Isovanilloylcatalpol
Formula C23H28O13
Mw 512.15299098
CAS RN 110559-87-0
C_ID C00034556 ,
InChIKey DSVKJARKMOAAKJ-NUFVKTGPNA-N
InChICode InChI=1S/C23H28O13/c1-31-12-3-2-9(6-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3/t10-,13+,14+,15+,16-,17+,18-,19-,21-,22-,23+/m0/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]2OC(=O)c2cc(c(cc2)OC)O)O1)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeVeronica turrilliana Ref.
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