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parfumine

PropertiesImage
MNX_IDMNXM107587 Image of MNXM107587
referencechebi:68994
formulaC20H19NO5
global charge0
mol weight353.374
InChIKeyAHNUBWYOIHCGFN-FQEVSTJZSA-N
InChIInChI=1S/C20H19NO5/c1-21-6-5-11-7-16(24-2)14(22)8-13(11)20(21)9-12-3-4-15-18(26-10-25-15)17(12)19(20)23/h3-4,7-8,22H,5-6,9-10H2,1-2H3/t20-/m0/s1
SMILESCOC1=CC2=C(C=C1O)[C@]1(CC3=C(C1=O)C1=C(C=C3)OCO1)N(C)CC2
MNX internals
InChI (mnx)InChI=1/C20H19NO5/c1-21-6-5-11-7-16(24-2)14(22)8-13(11)20(21)9-12-3-4-15-18(26-10-25-15)17(12)19(20)23/h3-4,7-8,22H,5-6,9-10H2,1-2H3/t20-/m0/s1 Image of MNXM107587
SMILES (mnx)[CH3:1][N:21]1[CH2:6][CH2:5][C:11]2=[CH:7][C:16]([O:24][CH3:2])=[C:14]([OH:22])[CH:8]=[C:13]2[C@:20]12[CH2:9][C:12]1=[C:17]([C:18]3=[C:15]([CH:4]=[CH:3]1)[O:25][CH2:10][O:26]3)[C:19]2=[O:23]
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
IdentifierDescription

CHEBI:68994
chebi:68994
AHNUBWYOIHCGFN-FQEVSTJZSA-N 		parfumine
(7S)-7'-hydroxy-6'-methoxy-2'-methyl-3',4'-dihydro-2H,2'H-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-8(6H)-one

seed.compound:cpd06494
seedM:cpd06494
kegg.compound:C09599
keggC:C09599
AHNUBWYOIHCGFN-FQEVSTJZSA-N 		Parfumine

chebi:7929
keggC:M_C09599
seedM:M_cpd06494 		secondary/obsolete/fantasy identifier