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(Q105117578)
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English
7-hydroxy-3-[(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]chromen-4-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
psoralenol
1 reference
based on heuristic
inferred from SMILES
mass
338.115423676
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₁₈O₅
0 references
canonical SMILES
O=C1C2=CC=C(O)C=C2OC=C1C=3C=CC=4OC(C)(C)C(O)CC4C3
0 references
isomeric SMILES
CC1(C)Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2C[C@@H]1O
0 references
found in taxon
Cullen corylifolia
1 reference
stated in
Bioactive Metabolites from the Fruits of Psoralea corylifolia
Cullen corylifolium
1 reference
stated in
Bioactive Metabolites from the Fruits of Psoralea corylifolia
Identifiers
InChI
InChI=1S/C20H18O5/c1-20(2)18(22)8-12-7-11(3-6-16(12)25-20)15-10-24-17-9-13(21)4-5-14(17)19(15)23/h3-7,9-10,18,21-22H,8H2,1-2H3/t18-/m0/s1
0 references
InChIKey
IPXXMSXJVCGTCG-SFHVURJKSA-N
0 references
PubChem CID
122177582
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
IPXXMSXJVCGTCG-SFHVURJKSA-N
UniChem compound ID
147968689
1 reference
stated in
UniChem
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