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

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indigo

	Properties	Image
MNX_ID	MNXM18650
reference	metacycM:CPD-10525
formula	C₁₆H₁₀N₂O₂
global charge	0
mol weight	262.268
InChIKey	COHYTHOBJLSHDF-BUHFOSPRSA-N
InChI	InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+
SMILES	O=C1C2=C(C=CC=C2)N/C1=C1/NC2=C(C=CC=C2)C1=O

MNX internals

InChI (mnx)	InChI=1/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+
SMILES (mnx)	[CH:1]1=[CH:3][CH:7]=[C:11]2[C:9](=[CH:5]1)[C:15](=[O:19])/[C:13](=[C:14]1/[C:16](=[O:20])[C:10]3=[CH:6][CH:2]=[CH:4][CH:8]=[C:12]3[NH:18]1)[NH:17]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-10525 metacycM:CPD-10525 COHYTHOBJLSHDF-BUHFOSPRSA-N	indigo cystoceva diindogen indigotin vulcafix blue R
sabiork.compound:28119 sabiorkM:28119 COHYTHOBJLSHDF-BUHFOSPRSA-N	Indigo
sabiork.compound:24912 sabiorkM:24912 COHYTHOBJLSHDF-BUHFOSPRSA-N	Indigo Blue
hmdb:HMDB0240742 COHYTHOBJLSHDF-BUHFOSPRSA-N	Indigo (E)-1H,1'H,3H,3'H-[2,2'-biindolylidene]-3,3'-dione (E)-1H,1'H-[2,2'-biindolylidene]-3,3'-dione (delta-2,2'-Biindole)-3,3'-dione 2-(1,3-Dihydro-3-oxo-5-sulphO-2H-indol-2-ylidene)-3- oxoindoline-5-sulphonic acid Carmine, indigo Cystoceva D And C blue no. 6 Diindogen Disulfonate, indigo FD And C blue no. 2 Indigo blue Indigo blue, soluble Indigo carmine Indigo disulfonate Indigotin Indigotindisulfonate Indigotindisulfonate sodium Indigotindisulfonic acid Soluble indigo blue Vulcafix blue R
seed.compound:cpd22702 seedM:cpd22702 COHYTHOBJLSHDF-BUHFOSPRSA-N	cystoceva diindogen indigo indigotin vulcafix blue R
seedM:M_cpd22702	secondary/obsolete/fantasy identifier