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(Q83111879)
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Maggiemycin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
anthracycline polyketide
0 references
mass
426.095082156
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₁₈O₉
0 references
canonical SMILES
O=C1C=2C=CC=C(O)C2C(=O)C=3C(O)=C4C(=O)CC(O)(CC)C(C(=O)OC)C4=C(O)C13
0 references
isomeric SMILES
CC[C@]1(CC(=O)C2=C([C@H]1C(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O
0 references
found in taxon
Streptomyces
2 references
stated in
Maggiemycin and anhydromaggiemycin: two novel anthracyclinone antitumor antibiotics. Isolation, structures, partial synthesis and biological properties
stated in
Maggiemycin and anhydromaggiemycin: two novel anthracyclinone antitumor antibiotics. Isolation, structures, partial synthesis and biological properties
Identifiers
InChI
InChI=1S/C22H18O9/c1-3-22(30)7-10(24)12-13(16(22)21(29)31-2)20(28)14-15(19(12)27)18(26)11-8(17(14)25)5-4-6-9(11)23/h4-6,16,23,27-28,30H,3,7H2,1-2H3/t16-,22+/m0/s1
0 references
InChIKey
FCUPTGDGQULLKX-KSFYIVLOSA-N
0 references
CAS Registry Number
81341-47-1
0 references
PubChem CID
133657
1 reference
matched by identifier from
InChIKey
InChIKey
FCUPTGDGQULLKX-KSFYIVLOSA-N
UniChem compound ID
63238199
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70231061
1 reference
matched by identifier from
InChIKey
InChIKey
FCUPTGDGQULLKX-KSFYIVLOSA-N
DSSTOX compound identifier
DTXCID70153552
0 references
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