input word = C00064106

Metabolite InformationStructural formula
Name 6-O-Isovanilloylcatalpol
Formula C23H28O13
Mw 512.15299098
CAS RN 1961245-47-5
C_ID C00064106
InChIKey AKNILCMFRRDTEY-NUGKWEEESA-N
InChICode InChI=1S/C23H28O13/c1-31-12-6-9(2-3-11(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-/m1/s1
SMILES COc1cc(C(=O)OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeVeronica cuneifolia Ref.
PlantaePlantaginaceaeVeronica francispetae Ref.
PlantaePlantaginaceaeVeronica persica Ref.
PlantaePlantaginaceaeVeronica polita Ref.
PlantaePlantaginaceaeVeronica siaretensis Ref.
--Vernoica cymbalaria Ref.
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