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aflatoxin B1

Properties

Image

Occurences in reactions

MNX_ID

MNXM735258

	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	6

formula

C₁₇H₁₂O₆

charge

mass

312.06339

reference

InChIKey

OQIQSTLJSLGHID-WNWIJWBNSA-N

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

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-156522 reactomeM:R-ALL-156522 reactome:R-ALL-5423605 reactomeM:R-ALL-5423605 CHEBI:2504 chebi:2504	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 2,3,6aalpha,9aalpha-Tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione Aflatoxin B1
sabiork.compound:8928 sabiorkM:8928 kegg.compound:C06800 keggC:C06800 lipidmaps:LMPK10000006 lipidmapsM:LMPK10000006	Aflatoxin B1
hmdb:HMDB0006552	Aflatoxin B1 (-)-Aflatoxin b1 (3S,7R)-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.0^{2,9}.0^{3,7}.0^{13,17}]nonadeca-1(12),2(9),4,10,13(17)-pentaene-16,18-dione 2,3,6Aalpha,9aalpha-tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-H)(1)benzopyran-1,11-dione AFB1 Aflatoxin b Aflatoxin b1 dihydrochloride, (6ar-cis)-isomer Aflatoxin b1, (6ar-cis)-isomer, 14C-labeled Aflatoxin b1, (6ar-cis)-isomer, 2H-labeled Aflatoxin b1, (6ar-cis)-isomer, 3H-labeled Aflatoxin b1, cis(+,-)-isomer HSDB 3453 HSDB-3453
seed.compound:cpd04172 seedM:cpd04172	Aflatoxin B1 aflatoxin B1
bigg.metabolite:aflatoxin biggM:aflatoxin	Aflatoxin c
CHEBI:125421 chebi:125421	LSM-36909
metacyc.compound:CPD-4592 metacycM:CPD-4592	aflatoxin B1
hmdb:HMDB06552 biggM:M_aflatoxin keggC:M_C06800 seedM:M_cpd04172	secondary/obsolete/fantasy identifier