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(Q82095383)
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Chestanin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
938.196431464
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₀H₄₂O₂₆
0 references
canonical SMILES
O=C(OCC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C(O)=C1)C3=CC(O)=C(O)C(OC4=C(O)C(O)=C(O)C=C4C(=O)OCC5=CC(O)=C(OC6OC(CO)C(O)C(O)C6O)C(O)=C5)=C3
0 references
found in taxon
Castanea mollissima
1 reference
stated in
Hydrolysable tannins and related compounds from Castanea mollissima
Castanea crenata
1 reference
stated in
Polyphenols isolated from the bark of castanea sativa Mill. chemical structures and auto-association in honour of professor G. H. Neil Towers 75th birthday
Identifiers
InChI
InChI=1S/C40H42O26/c41-8-23-27(51)29(53)32(56)39(63-23)65-35-18(45)1-12(2-19(35)46)10-60-37(58)14-5-16(43)25(49)22(6-14)62-34-15(7-17(44)26(50)31(34)55)38(59)61-11-13-3-20(47)36(21(48)4-13)66-40-33(57)30(54)28(52)24(9-42)64-40/h1-7,23-24,27-30,32-33,39-57H,8-11H2
0 references
InChIKey
NSFIWSANZNJXLP-UHFFFAOYSA-N
0 references
CAS Registry Number
68325-50-8
0 references
PubChem CID
432620
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
32018866
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50330783
1 reference
matched by identifier from
InChIKey
InChIKey
NSFIWSANZNJXLP-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60281878
0 references
NSC number
311363
0 references
Human Metabolome Database ID
HMDB0035163
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NSFIWSANZNJXLP-UHFFFAOYSA-N
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