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(Q75062027)
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English
Circumdatin D
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
Skchuvdmaxvdea-uhfffaoysa-
1 reference
based on heuristic
inferred from SMILES
mass
393.132470708
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₁₉N₃O₅
0 references
canonical SMILES
O=C1C=2C=C(OC)C=C(O)C2N=C3N1C4=CC=C(OC)C=C4C(=O)N5CCCC35
0 references
isomeric SMILES
COC1=CC2=C(C=C1)N3C(=NC4=C(C3=O)C=C(C=C4O)OC)[C@@H]5CCCN5C2=O
0 references
found in taxon
Aspergillus ochraceus
4 references
stated in
Circumdatins D, E, and F: further fungal benzodiazepine analogues from aspergillus ochraceus
stated in
Circumdatins D, E, and F: further fungal benzodiazepine analogues from aspergillus ochraceus
stated in
Circumdatins D, E, and F: further fungal benzodiazepine analogues from aspergillus ochraceus
stated in
Circumdatins D, E, and F: further fungal benzodiazepine analogues from aspergillus ochraceus
Identifiers
InChI
InChI=1S/C21H19N3O5/c1-28-11-5-6-15-13(8-11)20(26)23-7-3-4-16(23)19-22-18-14(21(27)24(15)19)9-12(29-2)10-17(18)25/h5-6,8-10,16,25H,3-4,7H2,1-2H3/t16-/m0/s1
0 references
InChIKey
SKCHUVDMAXVDEA-INIZCTEOSA-N
2 references
stated in
PubChem
PubChem CID
11794877
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
11794877
language of work or name
English
PubChem CID
11794877
2 references
stated in
PubChem
PubChem CID
11794877
language of work or name
English
matched by identifier from
InChIKey
InChIKey
SKCHUVDMAXVDEA-INIZCTEOSA-N
ChEBI ID
198515
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H19N3O5/c1-28-11-5-6-15-13(8-11)20(26)23-7-3-4-16(23)19-22-18-14(21(27)24(15)19)9-12(29-2)10-17(18)25/h5-6,8-10,16,25H,3-4,7H2,1-2H3/t16-/m0/s1
UniChem compound ID
32339102
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA001117
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SKCHUVDMAXVDEA-INIZCTEOSA-N
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