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(Q83106976)
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Gerberinside
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-Methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
1 reference
based on heuristic
inferred from SMILES
mass
338.100167536
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
4-(alpha-D-Glucopyranosyloxy)-5-methylcoumarin
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₈O₈
0 references
canonical SMILES
O=C1OC2=CC=CC(=C2C(OC3OC(CO)C(O)C(O)C3O)=C1)C
0 references
isomeric SMILES
CC1=C2C(=CC=C1)OC(=O)C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
0 references
found in taxon
Ethulia conyzoides
2 references
stated in
Further monoterpene 5-methylcoumarins and an acetophenone derivative from Ethulia conyzoides
stated in
A 5-methylcoumarin glucoside from Ethulia conyzoides
Gerbera jamesonii
1 reference
stated in
New glucosides of a 4-hydroxy-5-methylcoumarin and a dihydro-.ALPHA.-pyrone from Gerbera jamesonii hybrida.
Oreoseris delavayi
1 reference
stated in
A New Monoterpene-Coumarin and a New Monoterpene-Chromone from Gerbera delavayi
Perezia hebeclada
1 reference
stated in
A new coumarin fromPerezia hebeclada
Acourtia cordata
1 reference
stated in
A new coumarin fromPerezia hebeclada
Identifiers
InChI
InChI=1S/C16H18O8/c1-7-3-2-4-8-12(7)9(5-11(18)22-8)23-16-15(21)14(20)13(19)10(6-17)24-16/h2-5,10,13-17,19-21H,6H2,1H3/t10-,13-,14+,15-,16-/m1/s1
0 references
InChIKey
DXBGTODWNFZHCD-LMXXTMHSSA-N
0 references
CAS Registry Number
76474-54-9
0 references
PubChem CID
196468
0 references
UniChem compound ID
9162731
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40227279
1 reference
matched by identifier from
InChIKey
InChIKey
DXBGTODWNFZHCD-LMXXTMHSSA-N
DSSTOX compound identifier
DTXCID90149770
0 references
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