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(Q105141221)
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English
Unii-1KN18B7Y0X
group of stereoisomers with the chemical formula C₃₄H₂₄O₂₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
784.075922408
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₄H₂₄O₂₂
0 references
canonical SMILES
O=CC1OC(=O)C2=CC(O)=C(O)C(O)=C2C3=C(O)C(O)=C(O)C=C3C(=O)OC1C4OC(=O)C5=CC(O)=C(O)C(O)=C5C6=C(O)C(O)=C(O)C=C6C(=O)OCC4O
0 references
found in taxon
Melaleuca squarrosa
1 reference
stated in
C-Glucosidic ellagitannin oligomers from Melaleuca squarrosa Donn ex Sm., Myrtaceae
Identifiers
InChI
InChI=1S/C34H24O22/c35-5-16-30(56-34(52)10-4-14(39)24(44)28(48)20(10)18-8(32(50)54-16)2-12(37)22(42)26(18)46)29-15(40)6-53-31(49)7-1-11(36)21(41)25(45)17(7)19-9(33(51)55-29)3-13(38)23(43)27(19)47/h1-5,15-16,29-30,36-48H,6H2
0 references
InChIKey
KHMBJGKOFANMAO-UHFFFAOYSA-N
0 references
CAS Registry Number
7045-42-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
165564
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
52433772
1 reference
stated in
UniChem
KNApSAcK ID
C00058689
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KHMBJGKOFANMAO-UHFFFAOYSA-N
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