MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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griseofulvin

	Properties	Image
MNX_ID	MNXM55679
reference	chebi:27779
formula	C₁₇H₁₇ClO₆
global charge	0
mol weight	352.77
InChIKey	DDUHZTYCFQRHIY-RBHXEPJQSA-N
InChI	InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1
SMILES	COC1=CC(OC)=C(Cl)C2=C1C(=O)[C@@]1(O2)C(OC)=CC(=O)C[C@H]1C

MNX internals

InChI (mnx)	InChI=1/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1
SMILES (mnx)	[CH3:1][C@@H:8]1[CH2:5][C:9](=[O:19])[CH:6]=[C:12]([O:23][CH3:4])[C@:17]12[C:16](=[O:20])[C:13]1=[C:15]([C:14]([Cl:18])=[C:11]([O:22][CH3:3])[CH:7]=[C:10]1[O:21][CH3:2])[O:24]2

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
Identifier	Description
CHEBI:27779 chebi:27779 DDUHZTYCFQRHIY-RBHXEPJQSA-N	griseofulvin (+)-griseofulvin (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione Curling factor Fulcin Fulvicin Grifulvin Grisactin Griseofulvin Grisovin Grysio Lamoryl Likuden Poncyl Spirofulvin Sporostatin amudane griseofulvina griseofulvine griseofulvinum
kegg.compound:C06686 keggC:C06686 DDUHZTYCFQRHIY-RBHXEPJQSA-N	Griseofulvin
kegg.drug:D00209 keggD:D00209 DDUHZTYCFQRHIY-RBHXEPJQSA-N	Griseofulvin (JAN/USP/INN) Gris-peg (TN) Grisactin V (TN)
hmdb:HMDB0014544 DDUHZTYCFQRHIY-RBHXEPJQSA-N	Griseofulvin (+)-Griseofulvin (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione Amudane Curling factor Fulcin Fulvicin Fulvicin u F Fulvicin-u-F FulvicinUF GRE Grifulvin Grifulvin V Gris peg Gris-peg GrisPEG Grisactin Grisactin V Grisefuline Griseofulvina Griseofulvine Griseofulvinum Grisovin Grysio Lamoryl Likuden Poncyl Spirofulvin Sporostatin V, Grifulvin griseofulvin
lipidmaps:LMPK13060001 lipidmapsM:LMPK13060001 DDUHZTYCFQRHIY-RBHXEPJQSA-N	Griseofulvin (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione
seed.compound:cpd04087 seedM:cpd04087 DDUHZTYCFQRHIY-RBHXEPJQSA-N	Griseofulvin amudane fulvicin UF griseofulvin polygris
metacyc.compound:CPD-17786 metacycM:CPD-17786 DDUHZTYCFQRHIY-RBHXEPJQSA-N	griseofulvin amudane fulvicin UF polygris
hmdb:HMDB14544 chebi:24429 chebi:5546 keggC:M_C06686 keggD:M_D00209 seedM:M_cpd04087	secondary/obsolete/fantasy identifier