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

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7-O-acetylsalutaridinol

MNXM2958 is deprecated and here replaced by MNXM733592
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM733592
reference	metacycM:7-O-ACETYLSALUTARIDINOL
formula	C₂₁H₂₆NO₅
global charge	1
mol weight	372.441
InChIKey	DNOMLUPMYHAJIY-RXNCWWASSA-O
InChI	InChI=1S/C21H25NO5/c1-12(23)27-17-10-14-15-9-13-5-6-16(25-3)20(24)19(13)21(14,7-8-22(15)2)11-18(17)26-4/h5-6,10-11,15,17,24H,7-9H2,1-4H3/p+1/t15-,17?,21+/m1/s1
SMILES	COC1=CC=C2C[C@@H]3C4=C[C@H](OC(C)=O)C(OC)=C[C@]4(CC[NH+]3C)C2=C1O

MNX internals

InChI (mnx)	InChI=1/C21H25NO5/c1-12(23)27-17-10-14-15-9-13-5-6-16(25-3)20(24)19(13)21(14,7-8-22(15)2)11-18(17)26-4/h5-6,10-11,15,17,24H,7-9H2,1-4H3/t15-,17?,21+/m1/s1
SMILES (mnx)	[CH3:1][C:12](=[O:23])[O:27][CH:17]1[CH:10]=[C:14]2[C@H:15]3[CH2:9][C:13]4=[C:19]([C:20]([OH:24])=[C:16]([O:25][CH3:3])[CH:6]=[CH:5]4)[C@@:21]2([CH2:7][CH2:8][N:22]3[CH3:2])[CH:11]=[C:18]1[O:26][CH3:4]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:7-O-ACETYLSALUTARIDINOL metacycM:7-O-ACETYLSALUTARIDINOL DNOMLUPMYHAJIY-RXNCWWASSA-O	7-O-acetylsalutaridinol (7S)-salutaridinol 7-O-acetate
CHEBI:57672 chebi:57672 DNOMLUPMYHAJIY-FPPRHVDESA-O	(7S)-O-acetylsalutaridinol 4-hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-17-ium-7alpha-yl acetate 7-O-acetylsalutaridinol cation 7-O-acetylsalutaridinol(1+)
kegg.compound:C05322 keggC:C05322 DNOMLUPMYHAJIY-FPPRHVDESA-N	7-O-Acetylsalutaridinol Salutaridinol 7-O-acetate Salutaridinol acetate
CHEBI:16184 chebi:16184 DNOMLUPMYHAJIY-FPPRHVDESA-N	7-O-acetylsalutaridinol 4-hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7alpha-yl acetate 7-O-Acetylsalutaridinol Salutaridinol acetate
seed.compound:cpd03157 seedM:cpd03157 DNOMLUPMYHAJIY-KUDFPVQQSA-O	Salutaridinol acetate (7S)-salutaridinol 7-O-acetate 7-O-Acetylsalutaridinol 7-O-acetylsalutaridinol
chebi:12253 chebi:20777 chebi:2279 keggC:M_C05322 seedM:M_cpd03157	secondary/obsolete/fantasy identifier