input word = C00002676

Metabolite InformationStructural formula
Name 3-O-Galloylquinic acid
Theogallin
Formula C14H16O10
Mw 344.07434673
CAS RN 17365-11-6
C_ID C00002676 ,
InChIKey LDPLFHGGZNSKDS-LHWOQORHNA-N
InChICode InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1
SMILES c1(c(c(cc(c1)C(=O)O[C@@H]1C[C@](C[C@H]([C@H]1O)O)(O)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeAnacardiaceaePistacia weinmannifolia J.Pisson ex.Franch Ref.
PlantaeTheaceaeCamellia sinensis Ref.
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OrganismCamellia sinensis
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter40