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(Q83099902)
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English
3-Palmitoylcatechin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
flavan
1 reference
based on heuristic
inferred from SMILES
mass
528.3087037479999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₃₁H₄₄O₇
0 references
canonical SMILES
CCCCCCCCCCCCCCCC(=O)OC1Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC2=C(C=C(C=C2O[C@@H]1C3=CC(=C(C=C3)O)O)O)O
0 references
Identifiers
InChI
InChI=1S/C31H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-30(36)37-29-21-24-26(34)19-23(32)20-28(24)38-31(29)22-16-17-25(33)27(35)18-22/h16-20,29,31-35H,2-15,21H2,1H3/t29-,31+/m0/s1
0 references
InChIKey
HZXGLEQMLNKLOA-IGYGKHONSA-N
0 references
CAS Registry Number
71634-82-7
1 reference
stated in
CAS Common Chemistry
retrieved
5 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=71634-82-7
InChIKey
HZXGLEQMLNKLOA-IGYGKHONSA-N
PubChem CID
155661
1 reference
matched by identifier from
InChIKey
InChIKey
HZXGLEQMLNKLOA-IGYGKHONSA-N
UniChem compound ID
34290714
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40221878
1 reference
matched by identifier from
InChIKey
InChIKey
HZXGLEQMLNKLOA-IGYGKHONSA-N
DSSTOX compound identifier
DTXCID70144369
0 references
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