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(Q82935527)
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Homoaerothionin (AN)
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
spirobenzoxazoline alkaloid
0 references
PA5 polyamine alkaloid
0 references
mass
827.864062256
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₂₈Br₄N₄O₈
0 references
canonical SMILES
O=C(NCCCCCNC(=O)C1=NOC2(C=C(Br)C(OC)=C(Br)C2O)C1)C3=NOC4(C=C(Br)C(OC)=C(Br)C4O)C3
0 references
found in taxon
Sonchus micranthus
1 reference
stated in
Bioactive brominated metabolites from the red sea sponge Suberea mollis.
Identifiers
InChI
InChI=1S/C25H28Br4N4O8/c1-38-18-12(26)8-24(20(34)16(18)28)10-14(32-40-24)22(36)30-6-4-3-5-7-31-23(37)15-11-25(41-33-15)9-13(27)19(39-2)17(29)21(25)35/h8-9,20-21,34-35H,3-7,10-11H2,1-2H3,(H,30,36)(H,31,37)
0 references
InChIKey
UXPNMQCEVMBCIR-UHFFFAOYSA-N
0 references
CAS Registry Number
34232-66-1
0 references
PubChem CID
324100
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
67903576
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90955777
0 references
DSSTOX compound identifier
DTXCID801383762
0 references
NSC number
288041
0 references
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