loading...| Preferred Name |
aflatoxin B1 |
| Synonyms |
aflatoxin B1 (6aR,9aS)-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione Aflatoxin B1 2,3,6aalpha,9aalpha-Tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione |
| Definitions |
An aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_2504 |
| charge |
0 |
| database_cross_reference |
KEGG:C06800 KNApSAcK:C00000546 CAS:1162-65-8 |
| definition |
An aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11. |
| formula |
C17H12O6 |
| has role | |
| has_exact_synonym |
aflatoxin B1 (6aR,9aS)-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione Aflatoxin B1 |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
2,3,6aalpha,9aalpha-Tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione |
| id |
CHEBI:2504 |
| in_subset | |
| inchi |
InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1 |
| inchikey |
OQIQSTLJSLGHID-WNWIJWBNSA-N |
| label |
aflatoxin B1 |
| mass |
312.27358 |
| monoisotopicmass |
312.06339 |
| notation |
CHEBI:2504 |
| prefLabel |
aflatoxin B1 |
| smiles |
[H][C@]12OC=C[C@@]1([H])c1c(O2)cc(OC)c2c3CCC(=O)c3c(=O)oc12 |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_35618 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 |