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aflatoxin B1 exo-8,9-epoxide

Properties

Image

Occurences in reactions

MNX_ID

MNXM8257

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	5

formula

C₁₇H₁₂O₇

charge

mass

328.0583

reference

chebi:30725

InChIKey

KHBXRZGALJGBPA-IRWJRLHMSA-N

InChI

InChI=1S/C17H12O7/c1-20-7-4-8-11(12-14-17(23-14)24-16(12)21-8)13-10(7)5-2-3-6(18)9(5)15(19)22-13/h4,12,14,16-17H,2-3H2,1H3/t12-,14-,16+,17+/m1/s1

SMILES

COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1[C@@H](O2)O[C@@H]2O[C@@H]21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-156523 reactomeM:R-ALL-156523 reactome:R-ALL-159211 reactomeM:R-ALL-159211 reactome:R-ALL-5423619 reactomeM:R-ALL-5423619 CHEBI:30725 chebi:30725	aflatoxin B1 exo-8,9-epoxide (6aS,7aS,8aR,8bR)-4-methoxy-2,3,6a,7a,8a,8b-hexahydrocyclopenta[c]oxireno[4',5']furo[3',2':4,5]furo[2,3-h]chromene-1,10-dione 2,3-Epoxyaflatoxin B1 Aflatoxin B1 2,3-epoxide Aflatoxin B1 8,9-epoxide Aflatoxin B1 exo-8,9-oxide Aflatoxin B1-2,3-oxide
hmdb:HMDB0006558	2,3-Epoxyaflatoxin B1 (3R,4R,6S,8S)-12-methoxy-5,7,9,20-tetraoxahexacyclo[11.7.0.0^{2,10}.0^{3,8}.0^{4,6}.0^{14,18}]icosa-1(13),2(10),11,14(18)-tetraene-17,19-dione (6AS,7as,8ar,8BR)-2,3,6a,7a,8a,8b-hexahydro-4-methoxy-cyclopent[c]oxireno[4',5']furo[3',2':4,5]furo[2,3-H][1]benzopyran-1,10-dione 2,3-Epoxyaflatoxin b1 8,9-Epoxy-aflatoxin b1 AFB epoxide AFB1 8,9-oxide AFB1-2,3-oxide Aflatoxin b1 2,3-epoxide Aflatoxin b1 8,9-epoxide Aflatoxin b1 8,9-oxide Aflatoxin b1 epoxide Aflatoxin b1 exo-8,9-epoxide Aflatoxin b1 exo-8,9-oxide Aflatoxin b1, 2,3-oxide Aflatoxin b1-2,3-oxide Aflatoxin b1-8,9-epoxide [6AS-(6aa,7ab,8ab,8ba)]-2,3,6a,7a,8a,8b-hexahydro-4-methoxy-cyclopent[c]oxireno[4',5']furo[3',2':4,5]furo[2,3-H][1]benzopyran-1,10-dione exo-Aflatoxin b1-8,9-epoxide
bigg.metabolite:eaflatoxin biggM:eaflatoxin	8,9 epxoy aflatoxin B1
sabiork.compound:29911 sabiorkM:29911	Aflatoxin B1-8,9-epoxide
seed.compound:cpd20840 seedM:cpd20840 kegg.compound:C19586 keggC:C19586	Aflatoxin B1-exo-8,9-epoxide 2,3-Epoxyaflatoxin B1
sabiork.compound:29702 sabiorkM:29702	exo-Aflatoxin B1-8,9-epoxide
hmdb:HMDB06558 biggM:M_eaflatoxin keggC:M_C19586 seedM:M_cpd20840	secondary/obsolete/fantasy identifier