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(Q82994759)
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English
19-Hexyl-6-methyl-9-(2-methylpropyl)-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic cyclopeptide
0 references
mass
595.394499036
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₅₃N₅O₇
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)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/C30H53N5O7/c1-9-10-11-12-13-21-15-23(36)31-16-24(37)34-25(18(4)5)29(40)33-22(14-17(2)3)28(39)32-20(8)27(38)35-26(19(6)7)30(41)42-21/h17-22,25-26H,9-16H2,1-8H3,(H,31,36)(H,32,39)(H,33,40)(H,34,37)(H,35,38)
0 references
InChIKey
QWBKHPNGPXORRV-UHFFFAOYSA-N
0 references
CAS Registry Number
80111-95-1
0 references
PubChem CID
157621
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QWBKHPNGPXORRV-UHFFFAOYSA-N
UniChem compound ID
47219984
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID601000974
1 reference
matched by identifier from
InChIKey
InChIKey
QWBKHPNGPXORRV-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID301427931
0 references
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