input word = C00061084

Metabolite InformationStructural formula
Name (alphaR)-alpha-[[(2E)-3-[4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxybenzenepropanoic acid
Formula C24H26O13
Mw 522.13734092
CAS RN 251926-06-4
C_ID C00061084
InChIKey MRIIYMYNFFDCQF-PRFRQLEPSA-N
InChICode InChI=1S/C24H26O13/c25-10-18-20(30)21(31)22(32)24(37-18)36-16-5-2-11(7-15(16)28)3-6-19(29)35-17(23(33)34)9-12-1-4-13(26)14(27)8-12/h1-8,17-18,20-22,24-28,30-32H,9-10H2,(H,33,34)/b6-3+/t17-,18-,20-,21+,22-,24-/m1/s1
SMILES O=C(C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1)OC(Cc1ccc(O)c(O)c1)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChloranthaceaeSarcandra glabra Ref.
zoom in