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

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Citbrasine

	Properties	Image
MNX_ID	MNXM120630
reference	hmdb:HMDB0037797
formula	C₁₇H₁₇NO₆
global charge	0
mol weight	331.324
InChIKey	QYPQTPVQPNLXHV-UHFFFAOYSA-N
InChI	InChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3
SMILES	COC1=C(O)C2=C(C(OC)=C1OC)N(C)C1=C(C=CC=C1O)C2=O

MNX internals

InChI (mnx)	InChI=1/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3
SMILES (mnx)	[CH3:1][N:18]1[C:11]2=[C:8]([CH:6]=[CH:5][CH:7]=[C:9]2[OH:19])[C:13](=[O:20])[C:10]2=[C:12]1[C:15]([O:22][CH3:2])=[C:17]([O:24][CH3:4])[C:16]([O:23][CH3:3])=[C:14]2[OH:21]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0037797 QYPQTPVQPNLXHV-UHFFFAOYSA-N	Citbrasine 1,5-Dihydroxy-2,3,4-trimethoxy-10-methylacridone 1,5-dihydroxy-2,3,4-trimethoxy-10-methyl-9,10-dihydroacridin-9-one 1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one
hmdb:HMDB37797	secondary/obsolete/fantasy identifier