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(Q82213380)
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English
2H-1-Benzopyran-2-one, 8-(2,3-dihydroxy-3-methylbutyl)-7-methoxy-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic coumarin
0 references
mass
278.115423676
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₈O₅
0 references
canonical SMILES
O=C1OC2=C(C=C1)C=CC(OC)=C2CC(O)C(O)(C)C
0 references
found in taxon
Citrus grandis
1 reference
stated in
Coumarin glycosides from Citrus flavedo
pomelo
1 reference
stated in
Coumarin glycosides from Citrus flavedo
Phebalium filifolium
1 reference
stated in
Coumarins from Phebalium tuberculosum ssp. megaphyllum and Phebalium filifolium
Phebalium tuberculosum
2 references
stated in
Coumarins from Phebalium tuberculosum ssp. megaphyllum and Phebalium filifolium
stated in
Coumarins and their taxonomic value in the genus Phebalium
Magydaris pastinacea
1 reference
stated in
Coumarins from the Fruits of Cachrys ferulacea
Triphasia trifolia
1 reference
stated in
Coumarins from the leaves of Murraya paniculata
Murraya gleniei
2 references
stated in
Murragleinin, a coumarin from Murraya gleinei leaves
stated in
Coumarins from Murraya paniculata
Skimmia reevesiana
1 reference
stated in
Alkaloids and coumarins of Skimmia reevesiana
Citrus wilsonii
1 reference
stated in
Chemical and biological comparison of the fruit extracts of Citrus wilsonii Tanaka and Citrus medica L.
Cnidium
1 reference
stated in
Coumarins from the fruits of Cnidium monnieri
Murraya paniculata
3 references
stated in
Coumarins of Murraya exotica—absolute configuration of auraptenol
stated in
Murrayatin, a coumarin from murraya exotica
stated in
A new coumarin from Murraya paniculata
Citrus × paradisi
1 reference
stated in
Coumarin glycosides from Citrus flavedo
Identifiers
InChI
InChI=1S/C15H18O5/c1-15(2,18)12(16)8-10-11(19-3)6-4-9-5-7-13(17)20-14(9)10/h4-7,12,16,18H,8H2,1-3H3
0 references
InChIKey
KGGUASRIGLRPAX-UHFFFAOYSA-N
0 references
CAS Registry Number
5673-37-0
0 references
PubChem CID
5070783
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
181662
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H18O5/c1-15(2,18)12(16)8-10-11(19-3)6-4-9-5-7-13(17)20-14(9)10/h4-7,12,16,18H,8H2,1-3H3
UniChem compound ID
207433
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60408023
0 references
DSSTOX compound identifier
DTXCID40358875
0 references
Human Metabolome Database ID
HMDB0254461
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KGGUASRIGLRPAX-UHFFFAOYSA-N
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