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(Q72462377)
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English
3-Deoxyzinnolide
bioactive natural product
6-[(3',3'-Dimethylallyl)oxy]-4-methoxy-5-methylphthalide
6-(3',3'-dimethylallyloxy)-4-methoxy-5-methylphthalide
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic isobenzofuran
0 references
mass
262.120509056
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₈O₄
0 references
canonical SMILES
O=C1OCC2=C(OC)C(=C(OCC=C(C)C)C=C12)C
0 references
found in taxon
Alternaria tagetica
2 references
stated in
Isolation and Identification of 6-(3′,3′-Dimethylallyloxy)-4-methoxy-5-methylphthalide fromAlternaria porri
stated in
Natural zinniol derivatives from Alternaria tagetica. Isolation, synthesis, and structure-activity correlation.
Alternaria porri
1 reference
stated in
Isolation and Identification of 6-(3′,3′-Dimethylallyloxy)-4-methoxy-5-methylphthalide fromAlternaria porri
Pestalotia photiniae
1 reference
stated in
Phthalide derivatives with antifungal activities against the plant pathogens isolated from the liquid culture of Pestalotiopsis photiniae
Pestalotiopsis photiniae
1 reference
stated in
Phthalide derivatives with antifungal activities against the plant pathogens isolated from the liquid culture of Pestalotiopsis photiniae
Identifiers
InChI
InChI=1S/C15H18O4/c1-9(2)5-6-18-13-7-11-12(8-19-15(11)16)14(17-4)10(13)3/h5,7H,6,8H2,1-4H3
0 references
InChIKey
BGCNHXQQGSIHRP-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
176955
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
176955
language of work or name
English
CAS Registry Number
17811-32-4
0 references
PubChem CID
176955
2 references
stated in
PubChem
PubChem CID
176955
language of work or name
English
matched by identifier from
InChIKey
InChIKey
BGCNHXQQGSIHRP-UHFFFAOYSA-N
ChEBI ID
200173
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H18O4/c1-9(2)5-6-18-13-7-11-12(8-19-15(11)16)14(17-4)10(13)3/h5,7H,6,8H2,1-4H3
UniChem compound ID
6995879
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70170426
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
BGCNHXQQGSIHRP-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID9092917
0 references
Natural Product Atlas ID
NPA003040
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BGCNHXQQGSIHRP-UHFFFAOYSA-N
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