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(Q75056244)
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English
3-epi-radicinin
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
3-Hydroxy-2-methyl-7-prop-1-enyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione
1 reference
based on heuristic
inferred from SMILES
mass
236.068473484
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2R,3R)-3-hydroxy-2-methyl-7-[(E)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2S,3S)-3-hydroxy-2-methyl-7-[(Z)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione
1 reference
based on heuristic
inferred from InChI
radicinin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₂O₅
0 references
canonical SMILES
O=C1OC(C=CC)=CC=2OC(C)C(O)C(=O)C12
0 references
isomeric SMILES
C/C=C/C1=CC2=C(C(=O)[C@@H]([C@@H](O2)C)O)C(=O)O1
0 references
found in taxon
Bipolaris coicis
2 references
stated in
Phytotoxins and related metabolites produced by Bipolaris coicis, the pathogen of job's tears
stated in
Phytotoxins and related metabolites produced by Bipolaris coicis, the pathogen of job's tears
Identifiers
InChI
InChI=1S/C12H12O5/c1-3-4-7-5-8-9(12(15)17-7)11(14)10(13)6(2)16-8/h3-6,10,13H,1-2H3/b4-3+/t6-,10+/m0/s1
0 references
InChIKey
SDKXGAICTNHFCN-HOESVWFNSA-N
0 references
PubChem CID
92140716
2 references
stated in
PubChem
PubChem CID
92140716
language of work or name
English
matched by identifier from
InChIKey
InChIKey
SDKXGAICTNHFCN-HOESVWFNSA-N
ChEBI ID
197838
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H12O5/c1-3-4-7-5-8-9(12(15)17-7)11(14)10(13)6(2)16-8/h3-6,10,13H,1-2H3/b4-3+/t6-,10+/m0/s1
UniChem compound ID
97456318
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA000343
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SDKXGAICTNHFCN-HOESVWFNSA-N
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