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(Q76305738)
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Suberenol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic coumarin
0 references
mass
260.104858992
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₆O₄
0 references
canonical SMILES
O=C1OC=2C=C(OC)C(C=CC(O)(C)C)=CC2C=C1
0 references
isomeric SMILES
CC(C)(/C=C/C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O
0 references
found in taxon
Pleiospermium alatum
3 references
stated in
Chemical Constituents of Three Rutaceae Species from Sri Lanka
stated in
Acridone alkaloids and coumarins from Pleiospermium alatum
stated in
Coumarins from Pleiospermium alatum
Citrus funadoko
1 reference
stated in
Spectrometric elucidation of acrimarines, the first naturally occurring acridone–coumarin dimers
Citrus canariculata
1 reference
stated in
New binary coumarins from Citrus plants.
Amyris diatrypa
1 reference
stated in
Alkaloids and Coumarins from the Leaves of Amyris diatripa
Amyris lineata
1 reference
stated in
Coumarins from the Bark of Amyris lineata
Citrus nobilis
1 reference
stated in
A 2,2-dimethylpyranoflavonol from citrus nobilis
mandarin orange
1 reference
stated in
A 2,2-dimethylpyranoflavonol from citrus nobilis
Prangos lophoptera
1 reference
stated in
Coumarin composition of the roots, stems, and fruit of Prangos lophoptera
Amyris elemifera
1 reference
stated in
Amyris of Jamaica. Coumarins of Amyris elemifera D. C., (Rutaceae)
Naringi crenulata
1 reference
stated in
Coumarins and other constituents of Hesperethusa crenulata
Zanthoxylum ovalifolium
1 reference
stated in
The chemical constituents of Australian Zanthoxylum species. IV. Two new coumarins from Z. suberosum C. T. White (syn. Z. dominianum Merr. & Perry; Z. ovalifolium Wight)
Citrus × paradisi
1 reference
stated in
A New Biscoumarin from Citrus Plants
Citrus × deliciosa
1 reference
stated in
A 2,2-dimethylpyranoflavonol from citrus nobilis
Identifiers
InChI
InChI=1S/C15H16O4/c1-15(2,17)7-6-11-8-10-4-5-14(16)19-13(10)9-12(11)18-3/h4-9,17H,1-3H3/b7-6+
0 references
InChIKey
LNFVZUMSDAIQDQ-VOTSOKGWSA-N
0 references
CAS Registry Number
18529-47-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5375166
1 reference
matched by identifier from
InChIKey
InChIKey
LNFVZUMSDAIQDQ-VOTSOKGWSA-N
ChEBI ID
174410
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H16O4/c1-15(2,17)7-6-11-8-10-4-5-14(16)19-13(10)9-12(11)18-3/h4-9,17H,1-3H3/b7-6+
UniChem compound ID
31998021
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701318629
1 reference
matched by identifier from
InChIKey
InChIKey
LNFVZUMSDAIQDQ-VOTSOKGWSA-N
Human Metabolome Database ID
HMDB0030690
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LNFVZUMSDAIQDQ-VOTSOKGWSA-N
KNApSAcK ID
C00057990
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LNFVZUMSDAIQDQ-VOTSOKGWSA-N
UNII
TT3D5CTA3P
1 reference
matched by identifier from
InChIKey
InChIKey
LNFVZUMSDAIQDQ-VOTSOKGWSA-N
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