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Isoagarotetrol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(2-Phenylethyl)-5,6,7,8-tetrahydroxy-5,6,7,8-tetrahydrochromone
1 reference
based on heuristic
inferred from SMILES
mass
318.110338296
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Agarotetrol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₈O₆
0 references
canonical SMILES
O=C1C=C(OC2=C1C(O)C(O)C(O)C2O)CCC=3C=CC=CC3
0 references
isomeric SMILES
O=c1cc(CCc2ccccc2)oc2c1[C@H](O)[C@@H](O)[C@H](O)[C@H]2O
0 references
found in taxon
Aquilaria malaccensis
1 reference
stated in
Studies on the agalwood (jinko). IV Structures of 2-(2-phenylethyl)chromone derivatives, agarotetrol and isoagarotetrol.
Aquilaria sinensis
1 reference
stated in
Four New 2-(2-Phenylethyl)chromone Derivatives from Withered Wood of Aquilaria sinensis
Identifiers
InChI
InChI=1S/C17H18O6/c18-11-8-10(7-6-9-4-2-1-3-5-9)23-17-12(11)13(19)14(20)15(21)16(17)22/h1-5,8,13-16,19-22H,6-7H2/t13-,14+,15-,16+/m0/s1
0 references
InChIKey
CWMIROLCTHMEEO-XUWVNRHRSA-N
0 references
PubChem CID
21636029
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CWMIROLCTHMEEO-XUWVNRHRSA-N
UniChem compound ID
54007968
1 reference
stated in
UniChem
Probes And Drugs ID
PD125137
0 references
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