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(Q77502856)
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English
4-methoxy-3H-isobenzofuran-1-one
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic isobenzofuran
0 references
mass
164.047344116
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₈O₃
0 references
canonical SMILES
COC1=CC=CC2=C1COC2=O
0 references
found in taxon
Streptomyces
1 reference
stated in
Rearranged and unrearranged angucyclinones from Indonesian Streptomyces spp.
Identifiers
InChI
InChI=1S/C9H8O3/c1-11-8-4-2-3-6-7(8)5-12-9(6)10/h2-4H,5H2,1H3
0 references
InChIKey
HTONKCSNONAUAZ-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
11116379
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
11116379
language of work or name
English
CAS Registry Number
4792-33-0
0 references
PubChem CID
11116379
2 references
stated in
PubChem
PubChem CID
11116379
language of work or name
English
matched by identifier from
InChIKey
InChIKey
HTONKCSNONAUAZ-UHFFFAOYSA-N
ChEBI ID
219327
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C9H8O3/c1-11-8-4-2-3-6-7(8)5-12-9(6)10/h2-4H,5H2,1H3
UniChem compound ID
12813127
1 reference
stated in
UniChem
NMRShiftDB structure ID
20218162
1 reference
matched by identifier from
InChIKey
InChIKey
HTONKCSNONAUAZ-UHFFFAOYSA-N
DSSTox substance ID
DTXSID00455713
1 reference
matched by identifier from
InChIKey
InChIKey
HTONKCSNONAUAZ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90406532
0 references
Natural Product Atlas ID
NPA011459
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HTONKCSNONAUAZ-UHFFFAOYSA-N
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