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(Q105301281)
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English
5,7,4'-Tri-O-methylcatechin
group of stereoisomers with the chemical formula C₁₈H₂₀O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
flavan
1 reference
inferred from
flavan
mass
332.12598836
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₀O₆
0 references
canonical SMILES
OC1=CC(=CC=C1OC)C2OC=3C=C(OC)C=C(OC)C3CC2O
0 references
found in taxon
Cinnamomum
1 reference
stated in
Tannins and related compounds. XXIX. Seven new methyl derivatives of flavan-3-ols and a 1,3-diarylpropan-2-ol from Cinnamomum cassia, C. obtusifolium and Lindera umbellata var. membranacea.
Identifiers
InChI
InChI=1S/C18H20O6/c1-21-11-7-16(23-3)12-9-14(20)18(24-17(12)8-11)10-4-5-15(22-2)13(19)6-10/h4-8,14,18-20H,9H2,1-3H3
0 references
InChIKey
WCBCDLSKTYUDDL-UHFFFAOYSA-N
0 references
PubChem CID
67233312
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WCBCDLSKTYUDDL-UHFFFAOYSA-N
ChEBI ID
175243
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H20O6/c1-21-11-7-16(23-3)12-9-14(20)18(24-17(12)8-11)10-4-5-15(22-2)13(19)6-10/h4-8,14,18-20H,9H2,1-3H3
UniChem compound ID
29840768
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0030664
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WCBCDLSKTYUDDL-UHFFFAOYSA-N
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