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(Q74418088)
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English
myricitrin(1-)
anion
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
organic anion
0 references
mass
463.08819962790983
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₁H₁₉O₁₂⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1OC(Oc2c(-c3cc(O)c([O-])c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)[O-])O)O)O)O
0 references
Identifiers
InChI
InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/p-1/t6-,14-,17+,18+,21-/m0/s1
0 references
InChIKey
DCYOADKBABEMIQ-OWMUPTOHSA-M
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
138911127
1 reference
matched by identifier from
InChIKey
InChIKey
DCYOADKBABEMIQ-OWMUPTOHSA-M
ChEBI ID
144432
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/p-1/t6-,14-,17+,18+,21-/m0/s1
UniChem compound ID
170274347
1 reference
stated in
UniChem
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