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

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sterigmatocystin

MNXM2284 is deprecated and here replaced by MNXM732784
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM732784
reference	chebi:18227
formula	C₁₈H₁₂O₆
global charge	0
mol weight	324.288
InChIKey	UTSVPXMQSFGQTM-DCXZOGHSSA-N
InChI	InChI=1S/C18H12O6/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/h2-8,18-19H,1H3/t8-,18+/m0/s1
SMILES	COC1=C2C(=O)C3=C(O)C=CC=C3OC2=C2C(=C1)O[C@H]1OC=C[C@@H]21

MNX internals

InChI (mnx)	InChI=1/C18H12O6/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/h2-8,18-19H,1H3/t8-,18+/m0/s1
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[CH:5]=[CH: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)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18227 chebi:18227 UTSVPXMQSFGQTM-DCXZOGHSSA-N	sterigmatocystin (3aR,12cS)-8-hydroxy-6-methoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one 8-Hydroxy-6-methoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one Sterigmatocystin
kegg.compound:C00961 keggC:C00961 UTSVPXMQSFGQTM-DCXZOGHSSA-N	Sterigmatocystin
lipidmaps:LMPK10000001 lipidmapsM:LMPK10000001 UTSVPXMQSFGQTM-DCXZOGHSSA-N	Sterigmatocystin (3aR,12cS)-8-Hydroxy-6-methoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one
seed.compound:cpd00708 seedM:cpd00708 UTSVPXMQSFGQTM-DCXZOGHSSA-N	Sterigmatocystin sterigmatocystin
metacyc.compound:STERIGMATOCYSTIN metacycM:STERIGMATOCYSTIN UTSVPXMQSFGQTM-DCXZOGHSSA-N	sterigmatocystin
chebi:15109 chebi:26758 chebi:9262 keggC:M_C00961 seedM:M_cpd00708	secondary/obsolete/fantasy identifier