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(Q63395719)
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English
(3R,4R)-6,8-dihydroxy-3,4,7-trimethyl-3,4-dihydroisochromen-1-one
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
222.089208928
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(3S,4S)-6,8-dihydroxy-3,4,7-trimethyl-3,4-dihydroisochromen-1-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3R*,4S*)-6,8-Dihydroxy-3,4,7-trimethylisocoumarin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₄O₄
0 references
canonical SMILES
Cc1c(O)cc2c(c1O)C(=O)OC(C)C2C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]1[C@H](OC(=O)C2=C(C(=C(C=C12)O)C)O)C
0 references
Identifiers
InChI
InChI=1S/C12H14O4/c1-5-7(3)16-12(15)10-8(5)4-9(13)6(2)11(10)14/h4-5,7,13-14H,1-3H3/t5-,7+/m0/s1
0 references
InChIKey
WWSWVMRYHCEPFK-CAHLUQPWSA-N
0 references
PubChem CID
102595352
1 reference
matched by identifier from
InChIKey
InChIKey
WWSWVMRYHCEPFK-CAHLUQPWSA-N
UniChem compound ID
100988253
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Tottori_Univ-TT000129
0 references
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