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aflatoxin Q1

PropertiesImage
MNX_IDMNXM15767 Image of MNXM15767
referencechebi:78582
formulaC17H12O7
global charge0
mol weight328.276
InChIKeyGYNOTJLCULOEIM-XKRJZGAWSA-N
InChIInChI=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
SMILESCOC1=CC2=C(C3=C1C1=C(C(=O)C[C@@H]1O)C(=O)O3)[C@@H]1C=CO[C@@H]1O2
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM15767
SMILES (mnx)[CH3:1][O:21][C:9]1=[C:14]2[C:12]3=[C:13]([C:8](=[O:19])[CH2:4][C@@H:7]3[OH:18])[C:16](=[O:20])[O:24][C:15]2=[C:11]2[C@@H:6]3[CH:2]=[CH:3][O:22][C@@H:17]3[O:23][C:10]2=[CH:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-5423660
reactomeM:R-ALL-5423660
CHEBI:78582
chebi:78582
GYNOTJLCULOEIM-XKRJZGAWSA-N 		aflatoxin Q1
(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
AFQ1

seed.compound:cpd20839
seedM:cpd20839
sabiork.compound:29703
sabiorkM:29703
kegg.compound:C19585
keggC:C19585
GYNOTJLCULOEIM-UHFFFAOYSA-N
GYNOTJLCULOEIM-XKRJZGAWSA-N 		Aflatoxin Q1

hmdb:HMDB0030753
vmhM:M01302
vmhmetabolite:M01302
GYNOTJLCULOEIM-UHFFFAOYSA-N
GYNOTJLCULOEIM-XKRJZGAWSA-N 		Aflatoxin Q1
14-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.0²,⁹.0³,⁷.0¹³,¹⁷]nonadeca-1(12),2(9),4,10,13(17)-pentaene-16,18-dione

hmdb:HMDB30753
keggC:M_C19585
seedM:M_cpd20839
vmhM:M_M01302 		secondary/obsolete/fantasy identifier