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(Q104196687)
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English
2-(2-hydroxyethyl)-4-methoxy-5-methyl-6-[(3-methylbut-2-en-1-yl)oxy]-3H-isoindol-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
isoindole alkaloid
0 references
mass
305.162708216
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₃NO₄
0 references
canonical SMILES
O=C1C2=CC(OCC=C(C)C)=C(C(OC)=C2CN1CCO)C
0 references
found in taxon
Alternaria porri
3 references
stated in
Reinvestigation of structure of porritoxin, a phytotoxin of Alternaria porri
stated in
Porritoxin, a phytotoxin of Alternaria porri
stated in
Porritoxins, metabolites of Alternaria porri, as anti-tumor-promoting active compounds
Identifiers
InChI
InChI=1S/C17H23NO4/c1-11(2)5-8-22-15-9-13-14(16(21-4)12(15)3)10-18(6-7-19)17(13)20/h5,9,19H,6-8,10H2,1-4H3
0 references
InChIKey
RKLUTDADUQVUMB-UHFFFAOYSA-N
0 references
CAS Registry Number
143114-82-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
178688
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RKLUTDADUQVUMB-UHFFFAOYSA-N
UniChem compound ID
4948931
1 reference
stated in
UniChem
NMRShiftDB structure ID
2862
1 reference
matched by identifier from
InChIKey
InChIKey
RKLUTDADUQVUMB-UHFFFAOYSA-N
DSSTox substance ID
DTXSID60162315
1 reference
matched by identifier from
InChIKey
InChIKey
RKLUTDADUQVUMB-UHFFFAOYSA-N
Natural Product Atlas ID
NPA018437
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RKLUTDADUQVUMB-UHFFFAOYSA-N
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