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English
theasinensin B
group of stereoisomers with the chemical formula C₃₇H₃₀O₁₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
2'C-substituted flavan
1 reference
inferred from
2'C-substituted flavan
mass
762.1432141200004
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₇H₃₀O₁₈
0 references
canonical SMILES
O=C(OC1CC=2C(O)=CC(O)=CC2OC1C3=CC(O)=C(O)C(O)=C3C=4C(O)=C(O)C(O)=CC4C5OC=6C=C(O)C=C(O)C6CC5O)C7=CC(O)=C(O)C(O)=C7
0 references
Identifiers
InChI
InChI=1S/C37H30O18/c38-12-3-18(40)14-7-24(46)35(53-25(14)5-12)16-8-22(44)31(48)33(50)28(16)29-17(9-23(45)32(49)34(29)51)36-27(10-15-19(41)4-13(39)6-26(15)54-36)55-37(52)11-1-20(42)30(47)21(43)2-11/h1-6,8-9,24,27,35-36,38-51H,7,10H2
0 references
InChIKey
CTVAVEOYQKVFFY-UHFFFAOYSA-N
0 references
CAS Registry Number
89064-32-4
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5152866
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
792605
1 reference
stated in
UniChem
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