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

Feedback

(-)-sativan

MNXM13456 is deprecated and here replaced by MNXM728122
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM728122
reference	chebi:115
formula	C₁₇H₁₈O₄
global charge	0
mol weight	286.327
InChIKey	TUXCLJQCYVCGDW-LBPRGKRZSA-N
InChI	InChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m0/s1
SMILES	COC1=CC(OC)=C([C@@H]2COC3=C(C=CC(O)=C3)C2)C=C1

MNX internals

InChI (mnx)	InChI=1/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m0/s1
SMILES (mnx)	[CH3:1][O:19][C:14]1=[CH:9][C:17]([O:20][CH3:2])=[C:15]([C@H:12]2[CH2:7][C:11]3=[C:16]([CH:8]=[C:13]([OH:18])[CH:4]=[CH:3]3)[O:21][CH2:10]2)[CH:6]=[CH:5]1

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
CHEBI:115 chebi:115 TUXCLJQCYVCGDW-LBPRGKRZSA-N	(-)-sativan (3R)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol (3R)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol 2-hydroxy-2',4'-dimethoxyisoflavan sativin
kegg.compound:C10526 keggC:C10526 lipidmaps:LMPK12080025 lipidmapsM:LMPK12080025 TUXCLJQCYVCGDW-LBPRGKRZSA-N	(-)-Sativan
hmdb:HMDB0030521 TUXCLJQCYVCGDW-UHFFFAOYSA-N	Sativan (-)-Sativan 2'-O-Methylvestitol 3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol 7-Hydroxy-2',4'-dimethoxyisoflavan Sativin Sativin (alfalfa)
hmdb:HMDB30521 keggC:M_C10526	secondary/obsolete/fantasy identifier