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English
3'-O-Methylcatechin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Arachidoside
1 reference
based on heuristic
inferred from SMILES
mass
304.094688232
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
3'-methylepicatechin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₆O₆
0 references
canonical SMILES
OC=1C=C(O)C2=C(OC(C3=CC=C(O)C(OC)=C3)C(O)C2)C1
0 references
isomeric SMILES
COC1=C(C=CC(=C1)[C@@H]2[C@H](CC3=C(C=C(C=C3O2)O)O)O)O
0 references
found in taxon
Pinus sylvestris
2 references
stated in
Phenolics from inner bark of Pinus sylvestris
stated in
Phenolics from inner bark of Pinus sylvestris
Picea abies
1 reference
stated in
Phenolic extractives from root bark of Picea abies
Identifiers
InChI
InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16+/m0/s1
0 references
InChIKey
NJHJXXLBWQXMRO-XJKSGUPXSA-N
0 references
CAS Registry Number
60383-97-3
0 references
PubChem CID
14332899
0 references
ChEBI ID
149610
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
UniChem compound ID
5591406
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30559036
0 references
DSSTOX compound identifier
DTXCID50509816
0 references
KNApSAcK ID
C00055676
1 reference
based on heuristic
inferred from InChIKey
LIPID MAPS ID
LMPK12020142
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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