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

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Scytalone

	Properties	Image
MNX_ID	MNXM2281
reference	keggC:C00779
formula	C₁₀H₁₀O₄
global charge	0
mol weight	194.186
InChIKey	RTWVXIIKUFSDJB-ZETCQYMHSA-N
InChI	InChI=1S/C10H10O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1,3,7,11-13H,2,4H2/t7-/m0/s1
SMILES	O=C1C[C@@H](O)CC2=CC(O)=CC(O)=C12

MNX internals

InChI (mnx)	InChI=1/C10H10O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1,3,7,11-13H,2,4H2/t7-/m0/s1
SMILES (mnx)	[CH:1]1=[C:5]2[CH2:2][C@H:7]([OH:12])[CH2:4][C:9](=[O:14])[C:10]2=[C:8]([OH:13])[CH:3]=[C:6]1[OH:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
kegg.compound:C00779 keggC:C00779 RTWVXIIKUFSDJB-ZETCQYMHSA-N	Scytalone 3,4-Dihydro-3,6,8-trihydoroxy-1(2H)-napthalenone
vmhM:stln vmhmetabolite:stln RTWVXIIKUFSDJB-UHFFFAOYSA-N	Scytalone
seed.compound:cpd00578 seedM:cpd00578 RTWVXIIKUFSDJB-ZETCQYMHSA-N	Scytalone 3,4-Dihydro-3,6,8-trihydoroxy-1(2H)-napthalenone scytalone
metacyc.compound:CPD-56 metacycM:CPD-56 RTWVXIIKUFSDJB-ZETCQYMHSA-N	scytalone
CHEBI:16945 chebi:16945 RTWVXIIKUFSDJB-UHFFFAOYSA-N	scytalone 3,4-Dihydro-3,6,8-trihydoroxy-1(2H)-napthalenone 3,6,8-trihydroxy-3,4-dihydronaphthalen-1(2H)-one Scytalone
chebi:15069 chebi:26615 chebi:9064 keggC:M_C00779 seedM:M_cpd00578 vmhM:M_stln	secondary/obsolete/fantasy identifier