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(Q74411101)
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English
sordaricin(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
hydroxy monocarboxylic acid anion
0 references
mass
331.19148292391
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₂₇O₄⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)[O-]
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)[O-])C=O)CO
0 references
Identifiers
InChI
InChI=1S/C20H28O4/c1-11(2)16-6-13-7-19(10-22)15-5-4-12(3)14(15)8-18(13,9-21)20(16,19)17(23)24/h6,10-15,21H,4-5,7-9H2,1-3H3,(H,23,24)/p-1/t12-,13+,14-,15-,18+,19+,20-/m1/s1
0 references
InChIKey
QIMCUSGGYZHVEF-VULLPXFTSA-M
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
132472308
1 reference
matched by identifier from
InChIKey
InChIKey
QIMCUSGGYZHVEF-VULLPXFTSA-M
ChEBI ID
140232
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H28O4/c1-11(2)16-6-13-7-19(10-22)15-5-4-12(3)14(15)8-18(13,9-21)20(16,19)17(23)24/h6,10-15,21H,4-5,7-9H2,1-3H3,(H,23,24)/p-1/t12-,13+,14-,15-,18+,19+,20-/m1/s1
UniChem compound ID
164438318
1 reference
stated in
UniChem
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