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(Q105373657)
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English
Catechin 5-glucoside
group of stereoisomers with the chemical formula C₂₁H₂₄O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
flavan
1 reference
inferred from
flavan
mass
452.131861588
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₄O₁₁
0 references
canonical SMILES
OC=1C=C(OC2OC(CO)C(O)C(O)C2O)C3=C(OC(C4=CC=C(O)C(O)=C4)C(O)C3)C1
0 references
found in taxon
Davallia griffithiana
2 references
stated in
4-Carboxymethyl flavan-3-ols and procyanidins from Davallia divaricata
stated in
Constituents of a Fern, Davallia mariesii Moore. IV. Isolation and Structures of a Novel Norcarotane Sesquiterpene Glycoside, a Chromone Glucuronide, and Two Epicatechin Glycosides.
Davallia mariesii
1 reference
stated in
4-Carboxymethyl flavan-3-ols and procyanidins from Davallia divaricata
Davallia trichomanoides
1 reference
stated in
4-Carboxymethyl flavan-3-ols and procyanidins from Davallia divaricata
Davallia bullata
1 reference
stated in
4-Carboxymethyl flavan-3-ols and procyanidins from Davallia divaricata
Identifiers
InChI
InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-5-9(23)4-14-10(15)6-13(26)20(30-14)8-1-2-11(24)12(25)3-8/h1-5,13,16-29H,6-7H2
0 references
InChIKey
ZESJTWVSXGZYTD-UHFFFAOYSA-N
0 references
PubChem CID
14345560
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZESJTWVSXGZYTD-UHFFFAOYSA-N
ChEBI ID
191418
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-5-9(23)4-14-10(15)6-13(26)20(30-14)8-1-2-11(24)12(25)3-8/h1-5,13,16-29H,6-7H2
UniChem compound ID
32008652
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0037948
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZESJTWVSXGZYTD-UHFFFAOYSA-N
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