aflatoxin M1 (CHEBI:78576)

CHEBI:78576 - aflatoxin M₁

ChEBI ID	CHEBI:78576
ChEBI Name	aflatoxin M₁
Stars
ASCII Name	aflatoxin M1
Definition	A member of the class of aflatoxins that is aflatoxin B₁ in which the hydrogen at position 9a is replaced by a hydroxy group.
Last Modified	26 October 2016
Submitter	Bijay
Downloads	Molfile

Formula	C17H12O7
Net Charge	0
Average Mass	328.276
Monoisotopic Mass	328.05830
SMILES	[H][C@]12OC=C[C@@]1(O)c1c(cc(OC)c3c4c(c(=O)oc13)C(=O)CC4)O2
InChI	InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1
InChIKey	MJBWDEQAUQTVKK-IAGOWNOFSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus flavus (ncbitaxon:5059)	-	PubMed (24738739)	Strain: NRRL 3251
Aspergillus parasiticus (ncbitaxon:5067)	-	PubMed (24738739)

Roles Classification

mammalian metabolite Any animal metabolite produced during a metabolic reaction in mammals.

human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .

mycotoxin Poisonous substance produced by fungi.

ChEBI Ontology

Outgoing Relation(s)
	aflatoxin M₁ (CHEBI:78576) has functional parent aflatoxin B₁ (CHEBI:2504)
	aflatoxin M₁ (CHEBI:78576) has role Aspergillus metabolite (CHEBI:76956)
	aflatoxin M₁ (CHEBI:78576) has role human xenobiotic metabolite (CHEBI:76967)
	aflatoxin M₁ (CHEBI:78576) has role mammalian metabolite (CHEBI:75768)
	aflatoxin M₁ (CHEBI:78576) is a aflatoxin (CHEBI:22271)
	aflatoxin M₁ (CHEBI:78576) is a aromatic ether (CHEBI:35618)
	aflatoxin M₁ (CHEBI:78576) is a aromatic ketone (CHEBI:76224)
	aflatoxin M₁ (CHEBI:78576) is a tertiary alcohol (CHEBI:26878)
Incoming Relation(s)
Incoming Relation(s)	aflatoxin M₁ 8,9-epoxide (CHEBI:78577) has functional parent aflatoxin M₁ (CHEBI:78576)

IUPAC Name
(6aR,9aR)-9a-hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione

Synonyms	Source
4-Hydroxyaflatoxin B1	ChemIDplus
AFM1	SUBMITTER

Citations