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(Q77570883)
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English
Clavatustide A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
cyclo[2Abz-2Abz-DL-OPhe-N(Et)Gly]
1 reference
based on heuristic
inferred from SMILES
mass
471.1794209
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₂₅N₃O₅
0 references
canonical SMILES
CCN1CC(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)OC(Cc2ccccc2)C1=O
0 references
isomeric SMILES
CCN1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3C(=O)O[C@@H](C1=O)CC4=CC=CC=C4
0 references
found in taxon
Aspergillus clavatus
1 reference
stated in
Two novel hepatocellular carcinoma cycle inhibitory cyclodepsipeptides from a hydrothermal vent crab-associated fungus Aspergillus clavatus C2WU
Identifiers
InChI
InChI=1S/C27H25N3O5/c1-2-30-17-24(31)28-21-14-8-6-12-19(21)25(32)29-22-15-9-7-13-20(22)27(34)35-23(26(30)33)16-18-10-4-3-5-11-18/h3-15,23H,2,16-17H2,1H3,(H,28,31)(H,29,32)/t23-/m1/s1
0 references
InChIKey
BFSIKMSQNXJMBS-HSZRJFAPSA-N
2 references
stated in
PubChem
PubChem CID
139587634
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139587634
language of work or name
English
PubChem CID
139587634
2 references
stated in
PubChem
PubChem CID
139587634
language of work or name
English
matched by identifier from
InChIKey
InChIKey
BFSIKMSQNXJMBS-HSZRJFAPSA-N
ChEBI ID
222051
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C27H25N3O5/c1-2-30-17-24(31)28-21-14-8-6-12-19(21)25(32)29-22-15-9-7-13-20(22)27(34)35-23(26(30)33)16-18-10-4-3-5-11-18/h3-15,23H,2,16-17H2,1H3,(H,28,31)(H,29,32)/t23-/m1/s1
UniChem compound ID
170910744
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA016346
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BFSIKMSQNXJMBS-HSZRJFAPSA-N
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