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(Q104667519)
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English
3,4,5-Trihydroxy-2-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy]benzamide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
469.028124792
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₁₁NO₁₂
0 references
canonical SMILES
NC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34
0 references
found in taxon
Epilobium hirsutum
2 references
stated in
High-performance Liquid Chromatographic/Electrospray Ionization Mass Spectrometric Screening for Polyphenolic Compounds ofEpilobium hirsutum—The Structure of the Unique Ellagitannin Epilobamide-A
stated in
Polyphenolic metabolites of Epilobium hirsutum
Identifiers
InChI
InChI=1S/C21H11NO12/c22-19(29)6-2-7(23)12(25)15(28)16(6)32-9-3-5-11-10-4(20(30)34-18(11)14(9)27)1-8(24)13(26)17(10)33-21(5)31/h1-3,23-28H,(H2,22,29)
0 references
InChIKey
HXPMHHCHJJHAOY-UHFFFAOYSA-N
0 references
PubChem CID
163032352
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HXPMHHCHJJHAOY-UHFFFAOYSA-N
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