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

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DIMBOA

	Properties	Image
MNX_ID	MNXM1108154
reference	metacycM:CPD-6366
formula	C₉H₈NO₅
global charge	-1
mol weight	210.165
InChIKey	NVWSHDUTSCLIGK-UHFFFAOYSA-N
InChI	InChI=1S/C9H8NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12H,1H3/q-1
SMILES	COC1=CC2=C(C=C1)N([O-])C(=O)C(O)O2

MNX internals

InChI (mnx)	InChI=1/C9H8NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12H,1H3/q-1/t9?
SMILES (mnx)	[CH3:1][O:14][C:5]1=[CH:4][C:7]2=[C:6]([CH:3]=[CH:2]1)[N:10]([O-:13])[C:8](=[O:11])[CH:9]([OH:12])[O:15]2

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
Identifier	Description
metacyc.compound:CPD-6366 metacycM:CPD-6366 NVWSHDUTSCLIGK-UHFFFAOYSA-N	DIMBOA 2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one