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

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(R)-DNPA

	Properties	Image
MNX_ID	MNXM13744
reference	chebi:81996
formula	C₁₆H₁₄O₅
global charge	0
mol weight	286.283
InChIKey	HHXSOTFPYPQSBU-LLVKDONJSA-N
InChI	InChI=1S/C16H14O5/c1-8-14-10(6-11(21-8)7-13(18)19)5-9-3-2-4-12(17)15(9)16(14)20/h2-5,11,17H,6-7H2,1H3,(H,18,19)/t11-/m1/s1
SMILES	CC1=C2C(=O)C3=C(O)C=CC=C3C=C2C[C@H](CC(=O)O)O1

MNX internals

InChI (mnx)	InChI=1/C16H14O5/c1-8-14-10(6-11(21-8)7-13(18)19)5-9-3-2-4-12(17)15(9)16(14)20/h2-5,11,17H,6-7H2,1H3,(H,18,19)/t11-/m1/s1
SMILES (mnx)	[CH3:1][C:8]1=[C:14]2[C:10](=[CH:5][C:9]3=[C:15]([C:12]([OH:17])=[CH:4][CH:2]=[CH:3]3)[C:16]2=[O:20])[CH2:6][C@H:11]([CH2:7][C:13](=[O:18])[OH:19])[O:21]1

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
seed.compound:cpd20096 seedM:cpd20096 CHEBI:81996 chebi:81996 kegg.compound:C18835 keggC:C18835 HHXSOTFPYPQSBU-LLVKDONJSA-M HHXSOTFPYPQSBU-LLVKDONJSA-N	(R)-DNPA
keggC:M_C18835 seedM:M_cpd20096	secondary/obsolete/fantasy identifier