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8-O-methyldihydrosterigmatocystin

MNXM8542 is deprecated and here replaced by MNXM740842
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM740842 Image of MNXM740842
referencechebi:72678
formulaC19H16O6
global charge0
mol weight340.331
InChIKeyWSBZDTWHZJNGKQ-ZRNGKTOUSA-N
InChIInChI=1S/C19H16O6/c1-21-10-4-3-5-11-15(10)17(20)16-12(22-2)8-13-14(18(16)24-11)9-6-7-23-19(9)25-13/h3-5,8-9,19H,6-7H2,1-2H3/t9-,19+/m0/s1
SMILESCOC1=C2C(=O)C3=C(OC)C=C4O[C@H]5OCC[C@H]5C4=C3OC2=CC=C1
MNX internals
InChI (mnx)InChI=1/C19H16O6/c1-21-10-4-3-5-11-15(10)17(20)16-12(22-2)8-13-14(18(16)24-11)9-6-7-23-19(9)25-13/h3-5,8-9,19H,6-7H2,1-2H3/t9-,19+/m0/s1 Image of MNXM740842
SMILES (mnx)[CH3:1][O:21][C:10]1=[C:15]2[C:11](=[CH:5][CH:3]=[CH:4]1)[O:24][C:18]1=[C:14]3[C@@H:9]4[CH2:6][CH2:7][O:23][C@@H:19]4[O:25][C:13]3=[CH:8][C:12]([O:22][CH3:2])=[C:16]1[C:17]2=[O:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:72678
chebi:72678
WSBZDTWHZJNGKQ-ZRNGKTOUSA-N 		8-O-methyldihydrosterigmatocystin
(3aR,12cS)-6,8-dimethoxy-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one
1,2-Dihydro-O-methylsterigmatocystin
Dhomst

metacyc.compound:CPD-4588
metacycM:CPD-4588
WSBZDTWHZJNGKQ-ZRNGKTOUSA-N 		8-O-methyldihydrosterigmatocystin

kegg.compound:C03944
keggC:C03944
WSBZDTWHZJNGKQ-ZRNGKTOUSA-N 		Dihydro-O-methylsterigmatocystin
8-O-Methyldihydrosterigmatocystin
DHOMST
Dihydromethylsterigmatocystin

seed.compound:cpd02449
seedM:cpd02449
WSBZDTWHZJNGKQ-ZRNGKTOUSA-N 		Dihydromethylsterigmatocystin
8-O-Methyldihydrosterigmatocystin
DHOMST
Dihydro-O-methylsterigmatocystin

seed.compound:cpd24511
seedM:cpd24511
WSBZDTWHZJNGKQ-ZRNGKTOUSA-N 		dihydro-O-methylsterigmatocystin
8-O-methyldihydrosterigmatocystin

keggC:M_C03944
seedM:M_cpd02449
seedM:M_cpd24511 		secondary/obsolete/fantasy identifier