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Rutacultin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic coumarin
0 references
mass
274.120509056
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₈O₄
0 references
canonical SMILES
CC(C)(C=C)C1=CC2=CC(=C(C=C2OC1=O)OC)OC
0 references
found in taxon
Helietta apiculata
2 references
stated in
Quinoline alkaloids, coumarins and volatile constituents of Helietta longifoliata.
stated in
Quinoline alkaloids, coumarins and volatile constituents of Helietta longifoliata.
Ruta chalepensis
1 reference
stated in
Antifertility effects of some coumarins isolated fromRuta chalepensis andR. chalepensis var.latifolia in rodents
Identifiers
InChI
InChI=1S/C16H18O4/c1-6-16(2,3)11-7-10-8-13(18-4)14(19-5)9-12(10)20-15(11)17/h6-9H,1H2,2-5H3
0 references
InChIKey
IPLJDPYEDULBAK-UHFFFAOYSA-N
0 references
CAS Registry Number
31526-60-0
1 reference
InChIKey
IPLJDPYEDULBAK-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=31526-60-0
PubChem CID
182049
1 reference
matched by identifier from
InChIKey
InChIKey
IPLJDPYEDULBAK-UHFFFAOYSA-N
ChEBI ID
174617
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H18O4/c1-6-16(2,3)11-7-10-8-13(18-4)14(19-5)9-12(10)20-15(11)17/h6-9H,1H2,2-5H3
UniChem compound ID
16071326
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00185422
1 reference
matched by identifier from
InChIKey
InChIKey
IPLJDPYEDULBAK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10107913
0 references
Human Metabolome Database ID
HMDB0034132
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IPLJDPYEDULBAK-UHFFFAOYSA-N
KNApSAcK ID
C00053758
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IPLJDPYEDULBAK-UHFFFAOYSA-N
UNII
ND88K2P2XQ
1 reference
matched by identifier from
InChIKey
InChIKey
IPLJDPYEDULBAK-UHFFFAOYSA-N
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