input word = C00044928

Metabolite InformationStructural formula
Name Methyl 4-O-galloylchlorogenate
(-)-Methyl 4-O-galloylchlorogenate
Formula C24H24O13
Mw 520.12169086
CAS RN 574747-58-3
C_ID C00044928 ,
InChIKey VMLJFBIJZLTOFL-CGMDWQADNA-N
InChICode InChI=1S/C24H24O13/c1-35-23(33)24(34)9-17(29)21(37-22(32)12-7-15(27)20(31)16(28)8-12)18(10-24)36-19(30)5-3-11-2-4-13(25)14(26)6-11/h2-8,17-18,21,25-29,31,34H,9-10H2,1H3/b5-3+/t17-,18-,21-,24+/m1/s1
SMILES C1[C@](C[C@H]([C@H]([C@@H]1OC(=O)/C=C/c1cc(c(cc1)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)(O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapotaceaeManilkara zapota cv.Tikal Ref.
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OrganismManilkara zapota cv.Tikal
ReferenceMa,J.Nat.Prod.,66,(2003),983