aflatoxin Q(1) (CHEBI:78582)

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ChEBI Name	aflatoxin Q₁

ChEBI ID	CHEBI:78582

ChEBI ASCII Name	aflatoxin Q1

Definition	A member of the class of aflatoxins that is aflatoxin B₁ in which the hydrogen at the pro-3S position is replaced by a hydroxy group.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Bijay

Supplier Information

Download	Molfile XML SDF

Formula

C17H12O7

Net Charge

Average Mass

328.27300

Monoisotopic Mass

328.05830

InChI

InChI=1S/C17H12O7/c1-21-9-5-10-11(6-2-3-22-17(6)23-10)15-14(9)12-7(18)4-8(19)13(12)16(20)24-15/h2-3,5-7,17-18H,4H2,1H3/t6-,7-,17+/m0/s1

InChIKey

GYNOTJLCULOEIM-XKRJZGAWSA-N

SMILES

COc1cc2O[C@H]3OC=C[C@H]3c2c2oc(=O)c3C(=O)C[C@H](O)c3c12

Roles Classification
Biological Role(s):	human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. mycotoxin Poisonous substance produced by fungi. (via aflatoxin )

ChEBI Ontology
Outgoing	aflatoxin Q₁ (CHEBI:78582) has functional parent aflatoxin B₁ (CHEBI:2504) aflatoxin Q₁ (CHEBI:78582) has role carcinogenic agent (CHEBI:50903) aflatoxin Q₁ (CHEBI:78582) has role human xenobiotic metabolite (CHEBI:76967) aflatoxin Q₁ (CHEBI:78582) is a aflatoxin (CHEBI:22271) aflatoxin Q₁ (CHEBI:78582) is a aromatic ether (CHEBI:35618) aflatoxin Q₁ (CHEBI:78582) is a aromatic ketone (CHEBI:76224)

IUPAC Name

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

Synonym	Source
AFQ1	SUBMITTER

Last Modified

05 August 2014