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(Q115946740)
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English
SBZNTKRUOYCJOH-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₄₀H₄₈O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
736.309491596
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₀H₄₈O₁₃
0 references
canonical SMILES
OC1CC2=C(OC)C=C(OC)C(=C2OC1C3=CC(OC)=C(OC)C(OC)=C3)C(C4=CC=C(OC)C(OC)=C4)C(O)CC=5C(OC)=CC(OC)=CC5OC
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found in taxon
Camellia sinensis
1 reference
stated in
Tannins and related compounds. XC. 8-C-ascorbyl (-)-epigallocatechin 3-O-gallate and novel dimeric flavan-3-ols, oolonghomobisflavans A and B, from oolong tea.(3).
Identifiers
InChI
InChI=1S/C40H48O13/c1-43-23-16-29(45-3)24(30(17-23)46-4)18-26(41)36(21-11-12-28(44-2)32(13-21)48-6)37-33(49-7)20-31(47-5)25-19-27(42)38(53-39(25)37)22-14-34(50-8)40(52-10)35(15-22)51-9/h11-17,20,26-27,36,38,41-42H,18-19H2,1-10H3
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InChIKey
SBZNTKRUOYCJOH-UHFFFAOYSA-N
0 references
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