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(Q76546125)
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Phyllocoumarin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-pyrano[2,3-f]chromen-8-one
1 reference
based on heuristic
inferred from SMILES
mass
342.073952788
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-pyrano[2,3-f]chromen-8-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₈H₁₄O₇
0 references
canonical SMILES
O=C1OC2=CC(O)=C3C(OC(C4=CC=C(O)C(O)=C4)C(O)C3)=C2C=C1
0 references
isomeric SMILES
C1[C@@H]([C@H](OC2=C1C(=CC3=C2C=CC(=O)O3)O)C4=CC(=C(C=C4)O)O)O
0 references
found in taxon
Phyllocladus trichomanoides
2 references
stated in
Flavanocoumarins and flavanophenylpropanoids from Phyllocladus trichomanoides
stated in
Flavanocoumarins and flavanophenylpropanoids from Phyllocladus trichomanoides
Schisandra lancifolia
1 reference
stated in
Chemical constituents from the leaves and stems of Schisandra lancifolia
Smilax corbularia
1 reference
stated in
Estrogenic and anti-estrogenic compounds from the Thai medicinal plant, Smilax corbularia (Smilacaceae).
Identifiers
InChI
InChI=1S/C18H14O7/c19-11-3-1-8(5-13(11)21)17-14(22)6-10-12(20)7-15-9(18(10)25-17)2-4-16(23)24-15/h1-5,7,14,17,19-22H,6H2/t14-,17+/m0/s1
0 references
InChIKey
JXVQELAURPRTFD-WMLDXEAASA-N
0 references
PubChem CID
44257095
1 reference
matched by identifier from
InChIKey
InChIKey
JXVQELAURPRTFD-WMLDXEAASA-N
ChEBI ID
167944
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H14O7/c19-11-3-1-8(5-13(11)21)17-14(22)6-10-12(20)7-15-9(18(10)25-17)2-4-16(23)24-15/h1-5,7,14,17,19-22H,6H2/t14-,17+/m0/s1
UniChem compound ID
33644801
1 reference
stated in
UniChem
LIPID MAPS ID
LMPK12020070
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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