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Galloyl-dihhdp-hexose

C41H28O26 936.6 g/mol
H O O O O H O H O H O H O O H O H
Name Galloyl-dihhdp-hexose
Alternative name Casuarictin
Formula C41H28O26
Formula Weight 936.60 g/mol
Molecular Weight 936.60 g/mol
Monoisotopic Mass 936.087000 g/mol
InChI Key SWRFKGRMQVLMKA-JIZJWZDPSA-N
IUPAC [(1R,2S,19R,20S,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] 3,4,5-trihydroxybenzoate
InChI InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2
SMILES OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O
Food Berry
Food Source Strawberry
Family Phenolic
Class Tannin
Subclass Group Hydrolizable tannin
Subclass Gallotannin
Metabolite Valerolactone metabolite
CASNO 79786-00-8
HMDB HMDB0038728
PubChem 73644
KEGG C03582
FooDB FDB018137
DrugBank DB02709
ChEBI 229567
BioCyc CPD-83
METLIN 7044.0