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(Q105290506)
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Emodacidamide G
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-[(6-Chloro-4,5,7-trihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]-4-methylpentanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
447.072094216
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₁₈ClNO₈
0 references
canonical SMILES
CC(C)CC(NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)c(Cl)c(O)c1C2=O)C(=O)O
0 references
isomeric SMILES
CC(C)C[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)c(Cl)c(O)c1C2=O)C(=O)O
0 references
found in taxon
Penicillium
1 reference
stated in
Amino Acid Conjugated Anthraquinones from the Marine-Derived Fungus Penicillium sp. SCSIO sof101.
Identifiers
InChI
InChI=1S/C21H18ClNO8/c1-7(2)3-11(21(30)31)23-20(29)8-4-9-14(12(24)5-8)18(27)15-10(17(9)26)6-13(25)16(22)19(15)28/h4-7,11,24-25,28H,3H2,1-2H3,(H,23,29)(H,30,31)/t11-/m0/s1
0 references
InChIKey
VOXKCJAIEWKHLK-NSHDSACASA-N
0 references
PubChem CID
132489983
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VOXKCJAIEWKHLK-NSHDSACASA-N
ChEBI ID
207659
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H18ClNO8/c1-7(2)3-11(21(30)31)23-20(29)8-4-9-14(12(24)5-8)18(27)15-10(17(9)26)6-13(25)16(22)19(15)28/h4-7,11,24-25,28H,3H2,1-2H3,(H,23,29)(H,30,31)/t11-/m0/s1
UniChem compound ID
164598950
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA022344
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VOXKCJAIEWKHLK-NSHDSACASA-N
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