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(Q77386671)
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Aspergillazine A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
N-(7,8-dimethoxy-2-oxochromen-3-yl)-5,9-dihydroxy-3-oxa-11-thia-2-azatricyclo[6.2.1.04,9]undec-6-ene-1-carboxamide
1 reference
based on heuristic
inferred from SMILES
mass
448.0940366
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₀N₂O₈S
0 references
canonical SMILES
COc1ccc2cc(NC(=O)C34CC5(O)C(C=CC(O)C5ON3)S4)c(=O)oc2c1OC
0 references
isomeric SMILES
COC1=C(C2=C(C=C1)C=C(C(=O)O2)NC(=O)[C@]34C[C@@]5([C@H](S3)C=C[C@H]([C@@H]5ON4)O)O)OC
0 references
found in taxon
Trichoderma virens
1 reference
stated in
Aspergillazines A-E: novel heterocyclic dipeptides from an Australian strain of Aspergillus unilateralis.
Aspergillus unilateralis
1 reference
stated in
Aspergillazines A—E: Novel Heterocyclic Dipeptides from an Australian Strain of Aspergillus unilateralis.
Identifiers
InChI
InChI=1S/C20H20N2O8S/c1-27-12-5-3-9-7-10(17(24)29-14(9)15(12)28-2)21-18(25)20-8-19(26)13(31-20)6-4-11(23)16(19)30-22-20/h3-7,11,13,16,22-23,26H,8H2,1-2H3,(H,21,25)/t11-,13-,16+,19+,20+/m1/s1
0 references
InChIKey
BORNJBKYDWJXSF-JKRAONCPSA-N
2 references
stated in
PubChem
PubChem CID
15975698
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
15975698
language of work or name
English
PubChem CID
15975698
1 reference
stated in
PubChem
PubChem CID
15975698
language of work or name
English
UniChem compound ID
45260185
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA007691
1 reference
based on heuristic
inferred from InChIKey
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