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(Q82923856)
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Furopinnarin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
furanocoumarin
0 references
mass
284.104858992
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₆O₄
0 references
canonical SMILES
CC(C)(C=C)C1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2
0 references
found in taxon
Dorstenia gigas
3 references
stated in
Furanocoumarins from Dorstenia gigas
stated in
Furanocoumarins from Dorstenia gigas
stated in
Furanocoumarins from Dorstenia gigas
Ruta pinnata
3 references
stated in
Two new coumarins from Ruta pinnata
stated in
Structure of sabandinin and other coumarins isolated from the roots of Ruta pinnata
stated in
Structure of pinnarin and furopinnarin, two new coumarins from the roots of Ruta pinnata
Identifiers
InChI
InChI=1S/C17H16O4/c1-5-17(2,3)13-15-11(8-9-20-15)14(19-4)10-6-7-12(18)21-16(10)13/h5-9H,1H2,2-4H3
0 references
InChIKey
ZPLVEUIOSKJIDT-UHFFFAOYSA-N
0 references
CAS Registry Number
23531-95-5
0 references
PubChem CID
179399
1 reference
matched by identifier from
InChIKey
InChIKey
ZPLVEUIOSKJIDT-UHFFFAOYSA-N
ChEBI ID
192633
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H16O4/c1-5-17(2,3)13-15-11(8-9-20-15)14(19-4)10-6-7-12(18)21-16(10)13/h5-9H,1H2,2-4H3
UniChem compound ID
7543122
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20946294
1 reference
matched by identifier from
InChIKey
InChIKey
ZPLVEUIOSKJIDT-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID801374583
0 references
KNApSAcK ID
C00037165
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZPLVEUIOSKJIDT-UHFFFAOYSA-N
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