input word = C00044459

Metabolite InformationStructural formula
Name 4-O-Galloylchlorogenic acid
Formula C23H22O13
Mw 506.10604079
CAS RN 574747-59-4
C_ID C00044459 ,
InChIKey JODSXMBDAMZIDL-PXDPWBNMNA-N
InChICode InChI=1S/C23H22O13/c24-12-3-1-10(5-13(12)25)2-4-18(29)35-17-9-23(34,22(32)33)8-16(28)20(17)36-21(31)11-6-14(26)19(30)15(27)7-11/h1-7,16-17,20,24-28,30,34H,8-9H2,(H,32,33)/b4-2+/t16-,17-,20-,23+/m1/s1
SMILES O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapotaceaeManilkara zapota cv.Tikal Ref.
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