input word = C00063954

Metabolite InformationStructural formula
Name 10-O-Protocatechuyl-catalpol
Formula C22H26O13
Mw 498.13734092
CAS RN 1615652-83-9
C_ID C00063954
InChIKey BVBJSLWZAPVJKX-RTFRMLQUSA-N
InChICode InChI=1S/C22H26O13/c23-6-12-15(27)16(28)17(29)21(33-12)34-20-13-9(3-4-31-20)14(26)18-22(13,35-18)7-32-19(30)8-1-2-10(24)11(25)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14+,15-,16+,17-,18+,20+,21+,22-/m1/s1
SMILES O=C(OCC12OC1C(O)C1C=COC(OC3OC(CO)C(O)C(O)C3O)C12)c1ccc(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeVeronica americana Ref.
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OrganismVeronica americana
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.