Properties
Canonical smiles
C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N
Canonical smiles
C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N
Cas registry number
484-78-6
Chebi id
1547
Chembl id
CHEMBL442576
Chemical formula
C₁₀H₁₂N₂O₄
Chemical formula
C₁₀H₁₂N₂O₄
Chemspider id
87
Dsstox substance id
DTXSID00862009
Found in taxon
Eremothecium ashbyi
Freebase id
/m/047ckls
Human metabolome database id
HMDB0000732
Inchi
InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)
Inchikey
VCKPUUFAIGNJHC-UHFFFAOYSA-N
Kegg id
C02794
Knapsack id
C00061915
Mass
unit: dalton, amount: 224.08
Mass
unit: Q483261, amount: +224.08
Massbank accession id
MSBNK-Fiocruz-FIO00653, MSBNK-Fiocruz-FIO00654, MSBNK-Fiocruz-FIO00655, MSBNK-Fiocruz-FIO00656, MSBNK-Fiocruz-FIO00657, MSBNK-Keio_Univ-KO009000, MSBNK-Keio_Univ-KO009001, MSBNK-Keio_Univ-KO009002, MSBNK-Keio_Univ-KO009003, MSBNK-Keio_Univ-KO009004, MSBNK-Keio_Univ-KO009005, MSBNK-Osaka_Univ-OUF00052, MSBNK-RIKEN-PR100096, MSBNK-RIKEN-PR100097, MSBNK-RIKEN-PR100530, MSBNK-Keio_Univ-KO003118, MSBNK-Keio_Univ-KO003119, MSBNK-Keio_Univ-KO003120, MSBNK-Keio_Univ-KO003121, MSBNK-Keio_Univ-KO003122
Microsoft academic id (discontinued)
2778598219
Nikkaji id
J257.323G
Nsc number
96400
Probes and drugs id
PD046007
Pubchem cid
89, 25244175
Reaxys registry number
2697635
Splash
splash10-03di-0900000000-945cdfbc97d6522c828b, splash10-03di-0900000000-6174efed2f3c5b33ff73, splash10-03di-0900000000-f90e47da2c521113bf51, splash10-08gr-0900000000-58d42e67f4b580dc6221, splash10-0a7l-0980000000-d29afe0493d7b1747ece, splash10-0c0r-0910000000-05ae10fbc19a32189675, splash10-03k9-1900000000-8d006d6898801f6136a3, splash10-03di-6900000000-598b441589fd35c84075, splash10-004j-9400000000-8c872323edf1d080dd4a, splash10-0a4i-0090000000-7f42d12946f3efd7305d, splash10-03xr-0900000000-55f3e8f0320e4fca80e1, splash10-006x-0900000000-6393e30c9fa764800712, splash10-0ik9-0900000000-4f9bd3b6476d74c41a74, splash10-00di-0900000000-6509fb87eda460c6b5cd, splash10-01qa-0900000000-301763df64398d3bd889, splash10-0159-0692000000-b9c2999ae2687722738c, splash10-004i-0090000000-81fc171e92a48af06573, splash10-0a6r-0190000000-408a1da9eaf96a6aa006, splash10-03di-0910000000-d216d77a1ba053893773, splash10-03di-0910000000-b822e5acd57f145a9c37, splash10-03di-0920000000-385b607aaff360ab6caa, splash10-0a6r-0090000000-97f8866dfd5abb818010, splash10-0bta-0960000000-62e50d6d3be87b8f655e, splash10-0bt9-0980000000-294648a92239b9fbb61e, splash10-05y3-9600000000-0a276981035bdfdaa384, splash10-0a4i-0690000000-2458bca60bd4d63d4e0a, splash10-03di-2900000000-9f7c3e5d9fdd069332ef
Surechembl id
180582
Unichem compound id
143883
Unii
27723548JL
External References (22)
Cas registry number
484-78-6
Chebi id
1547
Chembl id
CHEMBL442576
Chemspider id
87
Dsstox substance id
DTXSID00862009
Freebase id
/m/047ckls
Human metabolome database id
HMDB0000732
Inchi
InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)
Inchikey
VCKPUUFAIGNJHC-UHFFFAOYSA-N
Kegg id
C02794
Knapsack id
C00061915
Massbank accession id
MSBNK-Fiocruz-FIO00653, MSBNK-Fiocruz-FIO00654, MSBNK-Fiocruz-FIO00655, MSBNK-Fiocruz-FIO00656, MSBNK-Fiocruz-FIO00657, MSBNK-Keio_Univ-KO009000, MSBNK-Keio_Univ-KO009001, MSBNK-Keio_Univ-KO009002, MSBNK-Keio_Univ-KO009003, MSBNK-Keio_Univ-KO009004, MSBNK-Keio_Univ-KO009005, MSBNK-Osaka_Univ-OUF00052, MSBNK-RIKEN-PR100096, MSBNK-RIKEN-PR100097, MSBNK-RIKEN-PR100530, MSBNK-Keio_Univ-KO003118, MSBNK-Keio_Univ-KO003119, MSBNK-Keio_Univ-KO003120, MSBNK-Keio_Univ-KO003121, MSBNK-Keio_Univ-KO003122
Microsoft academic id (discontinued)
2778598219
Nikkaji id
J257.323G
Nsc number
96400
Probes and drugs id
PD046007
Pubchem cid
89, 25244175
Reaxys registry number
2697635
Splash
splash10-03di-0900000000-945cdfbc97d6522c828b, splash10-03di-0900000000-6174efed2f3c5b33ff73, splash10-03di-0900000000-f90e47da2c521113bf51, splash10-08gr-0900000000-58d42e67f4b580dc6221, splash10-0a7l-0980000000-d29afe0493d7b1747ece, splash10-0c0r-0910000000-05ae10fbc19a32189675, splash10-03k9-1900000000-8d006d6898801f6136a3, splash10-03di-6900000000-598b441589fd35c84075, splash10-004j-9400000000-8c872323edf1d080dd4a, splash10-0a4i-0090000000-7f42d12946f3efd7305d, splash10-03xr-0900000000-55f3e8f0320e4fca80e1, splash10-006x-0900000000-6393e30c9fa764800712, splash10-0ik9-0900000000-4f9bd3b6476d74c41a74, splash10-00di-0900000000-6509fb87eda460c6b5cd, splash10-01qa-0900000000-301763df64398d3bd889, splash10-0159-0692000000-b9c2999ae2687722738c, splash10-004i-0090000000-81fc171e92a48af06573, splash10-0a6r-0190000000-408a1da9eaf96a6aa006, splash10-03di-0910000000-d216d77a1ba053893773, splash10-03di-0910000000-b822e5acd57f145a9c37, splash10-03di-0920000000-385b607aaff360ab6caa, splash10-0a6r-0090000000-97f8866dfd5abb818010, splash10-0bta-0960000000-62e50d6d3be87b8f655e, splash10-0bt9-0980000000-294648a92239b9fbb61e, splash10-05y3-9600000000-0a276981035bdfdaa384, splash10-0a4i-0690000000-2458bca60bd4d63d4e0a, splash10-03di-2900000000-9f7c3e5d9fdd069332ef
Surechembl id
180582
Unichem compound id
143883
Unii
27723548JL