input word = C00053193

Metabolite InformationStructural formula
Name Gallagic acid
Formula C28H14O18
Mw 638.01801365
CAS RN 65995-62-2
C_ID C00053193
InChIKey ZASJRRFAYSNSHU-UHFFFAOYSA-N
InChICode InChI=1S/C28H14O18/c29-5-1-3(25(39)40)7(17(33)15(5)31)9-13-11-12-14(28(44)46-23(11)21(37)19(9)35)10(20(36)22(38)24(12)45-27(13)43)8-4(26(41)42)2-6(30)16(32)18(8)34/h1-2,29-38H,(H,39,40)(H,41,42)
SMILES O=C(O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c2oc(=O)c3c(-c4c(C(=O)O)cc(O)c(O)c4O)c(O)c(O)c4oc(=O)c1c2c43
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
PlantaeLythraceaePunica granatum L. Ref.
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OrganismPunica granatum
ReferenceWu, S. et al., Molecules 22, (2017), 1606.