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Gerberin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-Methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one
1 reference
based on heuristic
inferred from SMILES
mass
290.100167536
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₈O₈
0 references
canonical SMILES
O=C1OC(C)CC(OC2OC(CO)C(O)C(O)C2O)=C1
0 references
isomeric SMILES
C[C@H]1CC(=CC(=O)O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
0 references
found in taxon
Gerbera jamesonii
2 references
stated in
New glucosides of a 4-hydroxy-5-methylcoumarin and a dihydro-.ALPHA.-pyrone from Gerbera jamesonii hybrida.
stated in
New glucosides of a 4-hydroxy-5-methylcoumarin and a dihydro-.ALPHA.-pyrone from Gerbera jamesonii hybrida.
Identifiers
InChI
InChI=1S/C12H18O8/c1-5-2-6(3-8(14)18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h3,5,7,9-13,15-17H,2,4H2,1H3/t5-,7+,9+,10-,11+,12+/m0/s1
0 references
InChIKey
VOGIOFXGPGYBDO-QHUZOQRCSA-N
0 references
CAS Registry Number
125445-59-2
0 references
PubChem CID
3050415
1 reference
matched by identifier from
InChIKey
InChIKey
VOGIOFXGPGYBDO-QHUZOQRCSA-N
UniChem compound ID
56932137
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40154773
1 reference
matched by identifier from
InChIKey
InChIKey
VOGIOFXGPGYBDO-QHUZOQRCSA-N
DSSTOX compound identifier
DTXCID1077264
0 references
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