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(Q82898693)
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English
Ashimycin A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
757.6993
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₇N₇O₁₈
0 references
canonical SMILES
O=CC1(O)C(OC(OC2C(O)C(O)C(NC(=N)N)C(O)C2NC(=N)N)C1OC3OC(CO)C(OC4OC(CO)C(O)C4(O)C(=O)O)C(O)C3NC)C
0 references
Identifiers
InChI
InChI=1S/C27H47N7O18/c1-6-26(45,5-37)19(21(47-6)50-17-10(34-25(30)31)12(38)9(33-24(28)29)13(39)15(17)41)52-20-11(32-2)14(40)16(7(3-35)48-20)51-23-27(46,22(43)44)18(42)8(4-36)49-23/h5-21,23,32,35-36,38-42,45-46H,3-4H2,1-2H3,(H,43,44)(H4,28,29,33)(H4,30,31,34)
0 references
InChIKey
ILBIJYYHQHTSRJ-UHFFFAOYSA-N
0 references
CAS Registry Number
123482-11-1
0 references
PubChem CID
3083014
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ILBIJYYHQHTSRJ-UHFFFAOYSA-N
UniChem compound ID
49323998
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70924507
1 reference
matched by identifier from
InChIKey
InChIKey
ILBIJYYHQHTSRJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID901353348
0 references
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