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(Q105127680)
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English
(7-methoxy-6-methyl-5,8-dioxoisoquinolin-1-yl)methyl (E)-2-methylbut-2-enoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
isoquinoline alkaloid
0 references
mass
315.110672644
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₇NO₅
0 references
canonical SMILES
O=C(OCC1=NC=CC=2C(=O)C(=C(OC)C(=O)C21)C)C(=CC)C
0 references
isomeric SMILES
C/C=C(\C)C(=O)OCc1nccc2c1C(=O)C(OC)=C(C)C2=O
1 reference
based on heuristic
inferred from InChI
found in taxon
Reniera
2 references
stated in
Antimicrobial metabolites of the sponge Reniera sp
stated in
Renieramycins E and F from the sponge Reniera sp.: reassignment of the stereochemistry of the renieramycins
Xestospongia
1 reference
stated in
Bioactive Isoquinoline Quinone from an Undescribed Philippine Marine Sponge of the GenusXestospongia
Identifiers
InChI
InChI=1S/C17H17NO5/c1-5-9(2)17(21)23-8-12-13-11(6-7-18-12)14(19)10(3)16(22-4)15(13)20/h5-7H,8H2,1-4H3/b9-5+
0 references
InChIKey
JGSPEFLRDJUZIE-WEVVVXLNSA-N
0 references
PubChem CID
6450458
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JGSPEFLRDJUZIE-WEVVVXLNSA-N
UniChem compound ID
32030295
1 reference
stated in
UniChem
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