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(Q77376519)
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English
Cephalimysin A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
tetramic acid
0 references
mass
399.16818752
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₅NO₆
0 references
canonical SMILES
CCC=CCCC1=C(C)C(=O)C2(O1)C(=O)NC(OC)(C(=O)c1ccccc1)C2O
0 references
isomeric SMILES
CC/C=C/CCC1=C(C(=O)[C@@]2(O1)[C@H]([C@](NC2=O)(C(=O)C3=CC=CC=C3)OC)O)C
0 references
found in taxon
Aspergillus fumigatus
1 reference
stated in
Cephalimysin A, a potent cytotoxic metabolite from an Aspergillus species separated from a marine fish
Identifiers
InChI
InChI=1S/C22H25NO6/c1-4-5-6-10-13-16-14(2)17(24)21(29-16)19(26)22(28-3,23-20(21)27)18(25)15-11-8-7-9-12-15/h5-9,11-12,19,26H,4,10,13H2,1-3H3,(H,23,27)/b6-5+/t19-,21-,22+/m1/s1
0 references
InChIKey
DOQXBDAURVMBOF-QMOITNCKSA-N
2 references
stated in
PubChem
PubChem CID
23624816
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
23624816
language of work or name
English
PubChem CID
23624816
2 references
stated in
PubChem
PubChem CID
23624816
language of work or name
English
matched by identifier from
InChIKey
InChIKey
DOQXBDAURVMBOF-QMOITNCKSA-N
ChEBI ID
203264
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H25NO6/c1-4-5-6-10-13-16-14(2)17(24)21(29-16)19(26)22(28-3,23-20(21)27)18(25)15-11-8-7-9-12-15/h5-9,11-12,19,26H,4,10,13H2,1-3H3,(H,23,27)/b6-5+/t19-,21-,22+/m1/s1
UniChem compound ID
33551952
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA006196
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DOQXBDAURVMBOF-QMOITNCKSA-N
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