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(Q82994761)
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English
19-Hexyl-3,6-dimethyl-9-(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
chemical compound
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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
biogenic cyclopeptide
0 references
mass
567.363198908
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₄₉N₅O₇
0 references
canonical SMILES
CCCCCCC1CC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)O1
0 references
found in taxon
Isaria
1 reference
stated in
Identification and Characterization of a Library of Microheterogeneous Cyclohexadepsipeptides from the Fungus Isaria
Identifiers
InChI
InChI=1S/C28H49N5O7/c1-8-9-10-11-12-20-14-22(34)29-15-23(35)33-24(17(4)5)27(38)32-21(13-16(2)3)26(37)30-18(6)25(36)31-19(7)28(39)40-20/h16-21,24H,8-15H2,1-7H3,(H,29,34)(H,30,37)(H,31,36)(H,32,38)(H,33,35)
0 references
InChIKey
YBUNWQZCPQUPOR-UHFFFAOYSA-N
0 references
CAS Registry Number
80111-96-2
0 references
PubChem CID
157622
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
59062692
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID301000975
1 reference
matched by identifier from
InChIKey
InChIKey
YBUNWQZCPQUPOR-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID001427932
0 references
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