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(Q75066945)
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English
Varitriol
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
2-[2-[2-(Hydroxymethyl)-3-methoxyphenyl]ethenyl]-5-methyloxolane-3,4-diol
1 reference
based on heuristic
inferred from SMILES
mass
280.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Varitriol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2S,3S,4R,5S)-2-[(E)-2-[2-(hydroxymethyl)-3-methoxyphenyl]ethenyl]-5-methyloxolane-3,4-diol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₅
0 references
canonical SMILES
OCC=1C(OC)=CC=CC1C=CC2OC(C)C(O)C2O
0 references
isomeric SMILES
C[C@@H]1[C@H]([C@H]([C@@H](O1)/C=C/C2=C(C(=CC=C2)OC)CO)O)O
0 references
found in taxon
Aspergillus stellatus
2 references
stated in
Bioactive metabolites from a marine-derived strain of the fungus Emericella variecolor
stated in
Bioactive metabolites from a marine-derived strain of the fungus Emericella variecolor
Identifiers
InChI
InChI=1S/C15H20O5/c1-9-14(17)15(18)13(20-9)7-6-10-4-3-5-12(19-2)11(10)8-16/h3-7,9,13-18H,8H2,1-2H3/b7-6+/t9-,13+,14-,15+/m1/s1
0 references
InChIKey
JGUADRHIBCXAFH-MVBSPKBLSA-N
2 references
stated in
PubChem
PubChem CID
11550900
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
11550900
language of work or name
English
CAS Registry Number
906482-48-2
0 references
PubChem CID
11550900
2 references
stated in
PubChem
PubChem CID
11550900
language of work or name
English
matched by identifier from
InChIKey
InChIKey
JGUADRHIBCXAFH-MVBSPKBLSA-N
ChEBI ID
199545
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H20O5/c1-9-14(17)15(18)13(20-9)7-6-10-4-3-5-12(19-2)11(10)8-16/h3-7,9,13-18H,8H2,1-2H3/b7-6+/t9-,13+,14-,15+/m1/s1
UniChem compound ID
5182391
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30468452
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
JGUADRHIBCXAFH-MVBSPKBLSA-N
DSSTOX compound identifier
DTXCID20419271
0 references
Natural Product Atlas ID
NPA002318
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JGUADRHIBCXAFH-MVBSPKBLSA-N
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