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(Q105011909)
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English
ent-Epicatechin-(4alpha->6)-ent-epicatechin
group of stereoisomers with the chemical formula C₃₀H₂₆O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
(4->6)-proanthocyanidin
1 reference
inferred from
(4->6)-proanthocyanidin
4C-substituted flavan
1 reference
inferred from
4C-substituted flavan
6C-substituted flavan
1 reference
inferred from
6C-substituted flavan
mass
578.142426272
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₂₆O₁₂
0 references
canonical SMILES
OC=1C=C(O)C2=C(OC(C3=CC=C(O)C(O)=C3)C(O)C2C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O)C1
0 references
found in taxon
Crataegus laevigata
1 reference
stated in
Isolation and identification of oligomeric procyanidins from Crataegus leaves and flowers.
Davallia bullata
1 reference
stated in
Constituents of a Fern, Davallia mariesii MOORE. III. Revised Structure and Absolute Configuration of Davallialactone.
Davallia trichomanoides
1 reference
stated in
Constituents of a Fern, Davallia mariesii MOORE. III. Revised Structure and Absolute Configuration of Davallialactone.
Davallia mariesii
1 reference
stated in
Constituents of a Fern, Davallia mariesii MOORE. III. Revised Structure and Absolute Configuration of Davallialactone.
Identifiers
InChI
InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2
0 references
InChIKey
GMISZFQPFDAPGI-UHFFFAOYSA-N
0 references
PubChem CID
13990892
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
173295
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2
UniChem compound ID
32018077
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0041239
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GMISZFQPFDAPGI-UHFFFAOYSA-N
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