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(Q72483888)
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English
8-(7-Hydroxy-3,7-dimethyl-2,5-octadienyloxy)psoralen
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
furanocoumarin
1 reference
based on heuristic
inferred from SMILES
mass
354.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₂O₅
0 references
canonical SMILES
C/C(=C\COc1c2occc2cc2ccc(=O)oc12)C/C=C/C(C)(C)O
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C/C(=C\COc1c2occc2cc2ccc(=O)oc12)C/C=C/C(C)(C)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H22O5/c1-14(5-4-10-21(2,3)23)8-11-25-20-18-16(9-12-24-18)13-15-6-7-17(22)26-19(15)20/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+
0 references
InChIKey
YOQCKFCFAJIRRT-OVXNXNIRSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
144398-34-5
0 references
KNApSAcK ID
C00019897
1 reference
matched by identifier from
InChIKey
InChIKey
YOQCKFCFAJIRRT-OVXNXNIRSA-N
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