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(Q104947419)
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English
[3,4,5-Trihydroxy-6-[2-(9-hydroxy-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yloxy]oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
group of stereoisomers with the chemical formula C₂₈H₃₀O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
furanocoumarin
1 reference
inferred from
furanocoumarin
mass
574.16864102
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₃₀O₁₃
0 references
canonical SMILES
O=C1OC=2C(O)=C3OC(CC3=CC2C=C1)C(OC4OC(COC(=O)C5=CC=C(O)C(OC)=C5)C(O)C(O)C4O)(C)C
0 references
found in taxon
Kitagawia praeruptora
1 reference
stated in
Structures of linear furano- and simple-coumarin glycosides of Bai-Hua Qian-Hu
Identifiers
InChI
InChI=1S/C28H30O13/c1-28(2,18-10-14-8-12-5-7-19(30)40-24(12)23(34)25(14)39-18)41-27-22(33)21(32)20(31)17(38-27)11-37-26(35)13-4-6-15(29)16(9-13)36-3/h4-9,17-18,20-22,27,29,31-34H,10-11H2,1-3H3
0 references
InChIKey
BWOIWJCVUMZWKV-UHFFFAOYSA-N
0 references
PubChem CID
14325462
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BWOIWJCVUMZWKV-UHFFFAOYSA-N
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