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(Q57584186)
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English
penicyclone C
chemical compound, polypropionate
Penicyclone C
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
Methyl 2-methyl-4-(1,5,6-trihydroxy-4-methyl-2-oxocyclohex-3-en-1-yl)butanoate
1 reference
based on heuristic
inferred from SMILES
chemical structure
Penicyclone C.png
315 × 285; 5 KB
0 references
mass
272.12598836
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₃H₂₀O₆
0 references
canonical SMILES
O=C(OC)C(C)CCC1(O)C(=O)C=C(C)C(O)C1O
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isomeric SMILES
CC1=CC(=O)[C@@]([C@@H]([C@@H]1O)O)(CC[C@@H](C)C(=O)OC)O
0 references
found in taxon
Penicillium
1 reference
stated in
Penicyclones A-E, Antibacterial Polyketides from the Deep-Sea-Derived Fungus Penicillium sp. F23-2.
described by source
Penicyclones A-E, Antibacterial Polyketides from the Deep-Sea-Derived Fungus Penicillium sp. F23-2.
0 references
Identifiers
InChI
InChI=1S/C13H20O6/c1-7(12(17)19-3)4-5-13(18)9(14)6-8(2)10(15)11(13)16/h6-7,10-11,15-16,18H,4-5H2,1-3H3/t7-,10-,11-,13-/m1/s1
0 references
InChIKey
YYHLRTDGNHDAMG-GDECHXLSSA-N
2 references
stated in
PubChem
PubChem CID
127041404
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
127041404
language of work or name
English
CAS Registry Number
1820960-57-3
0 references
PubChem CID
127041404
2 references
stated in
PubChem
PubChem CID
127041404
language of work or name
English
matched by identifier from
InChIKey
InChIKey
YYHLRTDGNHDAMG-GDECHXLSSA-N
ChEBI ID
220635
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H20O6/c1-7(12(17)19-3)4-5-13(18)9(14)6-8(2)10(15)11(13)16/h6-7,10-11,15-16,18H,4-5H2,1-3H3/t7-,10-,11-,13-/m1/s1
UniChem compound ID
156214940
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA016097
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YYHLRTDGNHDAMG-GDECHXLSSA-N
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