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(Q77281325)
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Penicillone A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
ent-PenicilloneA
1 reference
based on heuristic
inferred from SMILES
mass
250.120509056
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₈O₄
0 references
canonical SMILES
O=C1CCC2C(C)C3(C(=O)C1C2C(O)(C3=O)C)C
0 references
isomeric SMILES
C[C@@H]1[C@H]2CCC(=O)[C@@H]3[C@H]2[C@](C(=O)[C@]1(C3=O)C)(C)O
0 references
found in taxon
Penicillium solitum
1 reference
stated in
Penicillones A and B, two novel polyketides with tricyclo [5.3.1.03,8] undecane skeleton, from a marine-derived fungus Penicillium terrestre
Penicillium terrestre
1 reference
stated in
Penicillones A and B, two novel polyketides with tricyclo [5.3.1.03,8] undecane skeleton, from a marine-derived fungus Penicillium terrestre
Identifiers
InChI
InChI=1S/C14H18O4/c1-6-7-4-5-8(15)9-10(7)14(3,18)12(17)13(6,2)11(9)16/h6-7,9-10,18H,4-5H2,1-3H3/t6-,7-,9-,10+,13-,14+/m1/s1
0 references
InChIKey
DNVZKCLFZKHNIP-CJHXPDOISA-N
2 references
stated in
PubChem
PubChem CID
11288148
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
11288148
language of work or name
English
PubChem CID
11288148
2 references
stated in
PubChem
PubChem CID
11288148
language of work or name
English
matched by identifier from
InChIKey
InChIKey
DNVZKCLFZKHNIP-CJHXPDOISA-N
ChEBI ID
201125
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C14H18O4/c1-6-7-4-5-8(15)9-10(7)14(3,18)12(17)13(6,2)11(9)16/h6-7,9-10,18H,4-5H2,1-3H3/t6-,7-,9-,10+,13-,14+/m1/s1
UniChem compound ID
33322327
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA004147
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DNVZKCLFZKHNIP-CJHXPDOISA-N
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