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

Feedback

Anhydroglycinol

	Properties	Image
MNX_ID	MNXM5501
reference	chebi:2727
formula	C₁₅H₁₀O₄
global charge	0
mol weight	254.241
InChIKey	WYIDBNAGSMCMET-UHFFFAOYSA-N
InChI	InChI=1S/C15H10O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,16-17H,7H2
SMILES	OC1=CC=C2C(=C1)OC1=C2COC2=C1C=CC(O)=C2

MNX internals

InChI (mnx)	InChI=1/C15H10O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,16-17H,7H2
SMILES (mnx)	[CH:1]1=[CH:3][C:10]2=[C:14]([CH:6]=[C:9]1[OH:17])[O:19][C:15]1=[C:12]2[CH2:7][O:18][C:13]2=[CH:5][C:8]([OH:16])=[CH:2][CH:4]=[C:11]21

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
CHEBI:2727 chebi:2727 kegg.compound:C10200 keggC:C10200 WYIDBNAGSMCMET-UHFFFAOYSA-N	Anhydroglycinol 3,9-Dihydroxypterocarpen
metacyc.compound:CPD-11782 metacycM:CPD-11782 WYIDBNAGSMCMET-UHFFFAOYSA-N	3,9-dihydroxypterocarp-6a-en
lipidmaps:LMPK12070149 lipidmapsM:LMPK12070149 WYIDBNAGSMCMET-UHFFFAOYSA-N	Anhydroglycinol 3,9-Dihydroxypterocarpene
seed.compound:cpd07089 seedM:cpd07089 WYIDBNAGSMCMET-UHFFFAOYSA-N	Anhydroglycinol 3,9-Dihydroxypterocarpen 3,9-dihydroxypterocarp-6a-en
hmdb:HMDB0301850 WYIDBNAGSMCMET-UHFFFAOYSA-N	Anhydroglycinol 3,9-Dihydroxypterocarpen 8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2,4,6,11,13,15-heptaene-5,14-diol anhydroglycinol
keggC:M_C10200 seedM:M_cpd07089	secondary/obsolete/fantasy identifier