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aflatoxin B1

MNXM40393 is deprecated and here replaced by MNXM735258
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735258 Image of MNXM735258
referencechebi:2504
formulaC17H12O6
global charge0
mol weight312.277
InChIKeyOQIQSTLJSLGHID-WNWIJWBNSA-N
InChIInChI=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
SMILESCOC1=C2C3=C(C(=O)CC3)C(=O)OC2=C2C(=C1)O[C@H]1OC=C[C@@H]21
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM735258
SMILES (mnx)[CH3:1][O:20][C:10]1=[C:13]2[C:7]3=[C:12]([C:9](=[O:18])[CH2:3][CH2:2]3)[C:16](=[O:19])[O:23][C:15]2=[C:14]2[C@@H:8]3[CH:4]=[CH:5][O:21][C@@H:17]3[O:22][C:11]2=[CH:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-156522
reactomeM:R-ALL-156522
reactome:R-ALL-5423605
reactomeM:R-ALL-5423605
CHEBI:2504
chebi:2504
OQIQSTLJSLGHID-WNWIJWBNSA-N 		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
OQIQSTLJSLGHID-UHFFFAOYSA-N
OQIQSTLJSLGHID-WNWIJWBNSA-N 		Aflatoxin B1
hmdb:HMDB0006552
OQIQSTLJSLGHID-WNWIJWBNSA-N 		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
OQIQSTLJSLGHID-WNWIJWBNSA-N 		Aflatoxin B1
aflatoxin B1

bigg.metabolite:aflatoxin
biggM:aflatoxin
OQIQSTLJSLGHID-WNWIJWBNSA-N 		Aflatoxin c

CHEBI:125421
chebi:125421
OQIQSTLJSLGHID-UHFFFAOYSA-N 		LSM-36909

metacyc.compound:CPD-4592
metacycM:CPD-4592
OQIQSTLJSLGHID-WNWIJWBNSA-N 		aflatoxin B1

vmhM:aflatoxin
vmhmetabolite:aflatoxin
OQIQSTLJSLGHID-WNWIJWBNSA-N 		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

hmdb:HMDB06552
biggM:M_aflatoxin
keggC:M_C06800
seedM:M_cpd04172
vmhM:M_aflatoxin 		secondary/obsolete/fantasy identifier