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(Q74410839)
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English
(4S)-2,3-dehydroleucopelargonidin(1-)
anion
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No label defined
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Statements
instance of
type of chemical entity
0 references
subclass of
organic anion
0 references
mass
287.05611165191
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₁₁O₆⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
[O-]c1cc(O)cc2c1C(O)C(O)=C(c1ccc(O)cc1)O2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=CC(=CC=C1C2=C([C@H](C3=C(C=C(C=C3O2)O)[O-])O)O)O
0 references
Identifiers
InChI
InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,13,16-20H/p-1/t13-/m0/s1
0 references
InChIKey
GMICVRNSOOSANN-ZDUSSCGKSA-M
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
131801248
1 reference
matched by identifier from
InChIKey
InChIKey
GMICVRNSOOSANN-ZDUSSCGKSA-M
ChEBI ID
138950
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,13,16-20H/p-1/t13-/m0/s1
UniChem compound ID
163681882
1 reference
stated in
UniChem
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