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(Q67131000)
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English
collinemycin
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
1-Hydroxy-MA144 S1
1 reference
based on heuristic
inferred from SMILES
methyl (1R,4S)-4-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-(dimethylamino)-6-methyloxan-2-yl}oxy)-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
715.2840051200002
dalton
1 reference
based on heuristic
inferred from InChI
named after
Colline
0 references
chemical formula
C₃₆H₄₅NO₁₄
0 references
canonical SMILES
O=C1C=2C=C3C(=C(O)C2C(=O)C=4C(O)=CC=C(O)C14)C(OC5OC(C)C(OC6OC(C)C(O)C(O)C6)C(N(C)C)C5)CC(O)(CC)C3C(=O)OC
0 references
Identifiers
InChI
InChI=1S/C36H45NO14/c1-7-36(46)13-22(50-23-11-18(37(4)5)34(15(3)49-23)51-24-12-21(40)30(41)14(2)48-24)25-16(29(36)35(45)47-6)10-17-26(32(25)43)33(44)28-20(39)9-8-19(38)27(28)31(17)42/h8-10,14-15,18,21-24,29-30,34,38-41,43,46H,7,11-13H2,1-6H3
0 references
InChIKey
PXKJRTZJMGPOGS-UHFFFAOYSA-N
0 references
CAS Registry Number
72598-49-3
0 references
PubChem CID
99990
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
PXKJRTZJMGPOGS-UHFFFAOYSA-N
UniChem compound ID
43148613
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50993458
0 references
DSSTOX compound identifier
DTXCID501420505
0 references
NSC number
304416
0 references
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