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(Q105292268)
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English
9-[(2S)-2-hydroxy-3-methylbut-3-enoxy]-2,3-dihydrofuro[3,2-g]chromen-7-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
furanocoumarin
0 references
mass
288.099773612
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₆O₅
0 references
canonical SMILES
O=C1OC=2C(OCC(O)C(=C)C)=C3OCCC3=CC2C=C1
0 references
isomeric SMILES
C=C(C)[C@H](O)COc1c2c(cc3ccc(=O)oc13)CCO2
0 references
found in taxon
Aegle marmelos
1 reference
stated in
Alkaloid and coumarins from the green fruits of Aegle marmelos.
Identifiers
InChI
InChI=1S/C16H16O5/c1-9(2)12(17)8-20-16-14-11(5-6-19-14)7-10-3-4-13(18)21-15(10)16/h3-4,7,12,17H,1,5-6,8H2,2H3/t12-/m1/s1
0 references
InChIKey
VSJSEKRBOXSXKU-GFCCVEGCSA-N
0 references
PubChem CID
162867112
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VSJSEKRBOXSXKU-GFCCVEGCSA-N
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