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dihydrosterigmatocystin

MNXM11389 is deprecated and here replaced by MNXM726842
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM726842 Image of MNXM726842
referencechebi:72677
formulaC18H14O6
global charge0
mol weight326.304
InChIKeyRHGQIWVTIHZRLI-DCXZOGHSSA-N
InChIInChI=1S/C18H14O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-4,7-8,18-19H,5-6H2,1H3/t8-,18+/m0/s1
SMILESCOC1=C2C(=O)C3=C(O)C=CC=C3OC2=C2C(=C1)O[C@H]1OCC[C@@H]21
MNX internals
InChI (mnx)InChI=1/C18H14O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-4,7-8,18-19H,5-6H2,1H3/t8-,18+/m0/s1 Image of MNXM726842
SMILES (mnx)[CH3:1][O:21][C:11]1=[C:15]2[C:16](=[O:20])[C:14]3=[C:9]([OH:19])[CH:3]=[CH:2][CH:4]=[C:10]3[O:23][C:17]2=[C:13]2[C@@H:8]3[CH2:5][CH2:6][O:22][C@@H:18]3[O:24][C:12]2=[CH:7]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:72677
chebi:72677
RHGQIWVTIHZRLI-DCXZOGHSSA-N 		dihydrosterigmatocystin
(3aR,12cS)-8-hydroxy-6-methoxy-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one
2',3'-dihydrosterigmatocystin
8-Hydroxy-6-methoxy-1,2,3aR,12cS-tetrahydro-7H-furo(3',2':4,5)furo(2,3-c)xanthen-7-one
DHST

kegg.compound:C20445
keggC:C20445
RHGQIWVTIHZRLI-DCXZOGHSSA-N 		Dihydrosterigmatocystin
DHST

metacyc.compound:CPD-4587
metacycM:CPD-4587
RHGQIWVTIHZRLI-DCXZOGHSSA-N 		dihydrosterigmatocystin

seed.compound:cpd24510
seedM:cpd24510
RHGQIWVTIHZRLI-DCXZOGHSSA-N 		dihydrosterigmatocystin
DHST
Dihydrosterigmatocystin

keggC:M_C20445
seedM:M_cpd24510 		secondary/obsolete/fantasy identifier