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(Q77501982)
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Tumonoic acid K
bioactive natural product
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 1-(2-methyl-3-oxodec-8-enoyl)pyrrolidine-2-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
309.194008344
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
methyl (2S)-1-[(2S)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
methyl (2S)-1-[(E,2S)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₇NO₄
0 references
canonical SMILES
O=C(OC)C1N(C(=O)C(C(=O)CCCCC=CC)C)CCC1
0 references
isomeric SMILES
C/C=C/CCCCC(=O)C(C)C(=O)N1CCC[C@H]1C(=O)OC
0 references
found in taxon
Penicillium citrinum
1 reference
stated in
Tumonoic Acids K and L, Novel Metabolites from the Marine-Derived Fungus Penicillium citrinum
Identifiers
InChI
InChI=1S/C17H27NO4/c1-4-5-6-7-8-11-15(19)13(2)16(20)18-12-9-10-14(18)17(21)22-3/h4-5,13-14H,6-12H2,1-3H3/b5-4+/t13?,14-/m0/s1
0 references
InChIKey
DOXJLUOLFLRQHW-FNWUMVNLSA-N
2 references
stated in
PubChem
PubChem CID
56971042
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
56971042
language of work or name
English
PubChem CID
56971042
2 references
stated in
PubChem
PubChem CID
56971042
language of work or name
English
matched by identifier from
InChIKey
InChIKey
DOXJLUOLFLRQHW-FNWUMVNLSA-N
ChEBI ID
218602
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H27NO4/c1-4-5-6-7-8-11-15(19)13(2)16(20)18-12-9-10-14(18)17(21)22-3/h4-5,13-14H,6-12H2,1-3H3/b5-4+/t13?,14-/m0/s1
UniChem compound ID
34256870
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA011317
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DOXJLUOLFLRQHW-FNWUMVNLSA-N
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