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(+/-)-6-Acetonyldihydrosanguinarine

PropertiesImage
MNX_IDMNXM30200 Image of MNXM30200
referencechebi:31022
formulaC23H19NO5
global charge0
mol weight389.407
InChIKeyONEHMWWDDDSJBB-UHFFFAOYSA-N
InChIInChI=1S/C23H19NO5/c1-12(25)7-17-21-14(5-6-18-23(21)29-11-26-18)15-4-3-13-8-19-20(28-10-27-19)9-16(13)22(15)24(17)2/h3-6,8-9,17H,7,10-11H2,1-2H3
SMILESCC(=O)CC1C2=C(C=CC3=C2OCO3)C2=C(C3=C(C=C2)C=C2OCOC2=C3)N1C
MNX internals
InChI (mnx)InChI=1/C23H19NO5/c1-12(25)7-17-21-14(5-6-18-23(21)29-11-26-18)15-4-3-13-8-19-20(28-10-27-19)9-16(13)22(15)24(17)2/h3-6,8-9,17H,7,10-11H2,1-2H3/t17? Image of MNXM30200
SMILES (mnx)[CH3:1][C:12]([CH2:7][CH:17]1[C:21]2=[C:23]3[C:18](=[CH:6][CH:5]=[C:14]2[C:15]2=[C:22]([C:16]4=[CH:9][C:20]5=[C:19]([CH:8]=[C:13]4[CH:3]=[CH:4]2)[O:27][CH2:10][O:28]5)[N:24]1[CH3:2])[O:26][CH2:11][O:29]3)=[O:25]
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:31022
chebi:31022
kegg.compound:C12201
keggC:C12201
ONEHMWWDDDSJBB-UHFFFAOYSA-N 		(+/-)-6-Acetonyldihydrosanguinarine
(+/-)-8-Acetonyldihydrosanguinarine
6-Acetonyl-5,6-dihydrosanguinarine

seed.compound:cpd08981
seedM:cpd08981
ONEHMWWDDDSJBB-UHFFFAOYSA-N 		6-Acetonyl-5,6-dihydrosanguinarine
(+/-)-6-Acetonyldihydrosanguinarine
(+/-)-8-Acetonyldihydrosanguinarine
hmdb:HMDB0039896
ONEHMWWDDDSJBB-UHFFFAOYSA-N 		xi-8-Acetonyldihydrosanguinarine
(+/-)-8-acetonyldihydrosanguinarine
1-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}propan-2-one
6-Acetonyl-5,6-dihydrosanguinarine

hmdb:HMDB39896
keggC:M_C12201
seedM:M_cpd08981 		secondary/obsolete/fantasy identifier