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(Q104971380)
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Agarotetrol
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
Isoagarotetrol
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.
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-JJXSEGSLSA-N
0 references
PubChem CID
13606036
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CWMIROLCTHMEEO-JJXSEGSLSA-N
ChEBI ID
189508
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
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
UniChem compound ID
60148368
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID301350091
1 reference
matched by identifier from
InChIKey
InChIKey
CWMIROLCTHMEEO-JJXSEGSLSA-N
Probes And Drugs ID
PD100253
0 references
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