input word = C00049080

Metabolite InformationStructural formula
Name Macroantoin F
3,4-Dicaffeoyl quinic acid
(-)-3,4-Dicaffeoyl quinic acid
Formula C26H26O12
Mw 530.1424263
CAS RN 114637-83-1
C_ID C00049080 ,
InChIKey PKJBSZTYNDRXEQ-BYRPEJONNA-N
InChICode InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(31)24(38-23(33)9-5-15-3-7-17(28)19(30)11-15)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1
SMILES COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
Plantae--Lonicera macranthoides Ref.
PlantaeAsteraceaeDichrocephala bicolor Ref.
zoom in