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(Q105370263)
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English
3-[[(2S)-3,3-dimethyloxiran-2-yl]methyl]-2,4-dihydroxy-6-methoxybenzaldehyde
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-[(3,3-Dimethyloxiran-2-yl)methyl]-2,4-dihydroxy-6-methoxybenzaldehyde
1 reference
based on heuristic
inferred from SMILES
mass
252.099773612
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₆O₅
0 references
canonical SMILES
O=CC1=C(O)C(=C(O)C=C1OC)CC2OC2(C)C
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isomeric SMILES
COc1cc(O)c(C[C@@H]2OC2(C)C)c(O)c1C=O
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found in taxon
Marshallia graminifolia
1 reference
stated in
Flavonoids inositol esters and pantolactone homologues from marshallia tenuifolia
Vernonia angustifolia
1 reference
stated in
Flavonoids inositol esters and pantolactone homologues from marshallia tenuifolia
Identifiers
InChI
InChI=1S/C13H16O5/c1-13(2)11(18-13)4-7-9(15)5-10(17-3)8(6-14)12(7)16/h5-6,11,15-16H,4H2,1-3H3/t11-/m0/s1
0 references
InChIKey
ZAWONMSUGXUADN-NSHDSACASA-N
0 references
PubChem CID
163193884
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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