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 C1[C@](C[C@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)OC(=O)/C=C/c1ccc(c(c1)O)O)O)(O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeDichrocephala bicolor Ref.
PlantaeCaprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/ValerianaceaeLonicera macranthoides Ref.
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