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Acetylsalvipisone

PropertiesImage
MNX_IDMNXM118782 Image of MNXM118782
referencechebi:172580
formulaC22H26O4
global charge0
mol weight354.446
InChIKeyMCXIDKIJSQDYCT-UHFFFAOYSA-N
InChIInChI=1S/C22H26O4/c1-12(2)8-7-9-16-14(5)10-11-17-19(16)21(25)22(26-15(6)23)18(13(3)4)20(17)24/h10-11,13H,1,7-9H2,2-6H3
SMILESC=C(C)CCCC1=C2C(=O)C(OC(C)=O)=C(C(C)C)C(=O)C2=CC=C1C
MNX internals
InChI (mnx)InChI=1/C22H26O4/c1-12(2)8-7-9-16-14(5)10-11-17-19(16)21(25)22(26-15(6)23)18(13(3)4)20(17)24/h10-11,13H,1,7-9H2,2-6H3 Image of MNXM118782
SMILES (mnx)[CH2:1]=[C:12]([CH3:2])[CH2:8][CH2:7][CH2:9][C:16]1=[C:14]([CH3:5])[CH:10]=[CH:11][C:17]2=[C:19]1[C:21](=[O:25])[C:22]([O:26][C:15]([CH3:6])=[O:23])=[C:18]([CH:13]([CH3:3])[CH3:4])[C:20]2=[O:24]
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:172580
chebi:172580
MCXIDKIJSQDYCT-UHFFFAOYSA-N
Acetylsalvipisone
[7-methyl-8-(4-methylpent-4-enyl)-1,4-dioxo-3-propan-2-ylnaphthalen-2-yl] acetate
hmdb:HMDB0031877
MCXIDKIJSQDYCT-UHFFFAOYSA-N
Acetylsalvipisone
3-isopropyl-7-methyl-8-(4-methylpent-4-en-1-yl)-1,4-dioxonaphthalen-2-yl acetate
7-Methyl-8-(4-methylpent-4-en-1-yl)-1,4-dioxo-3-(propan-2-yl)-1,4-dihydronaphthalen-2-yl acetic acid
7-methyl-8-(4-methylpent-4-en-1-yl)-1,4-dioxo-3-(propan-2-yl)-1,4-dihydronaphthalen-2-yl acetate

hmdb:HMDB31877
secondary/obsolete/fantasy identifier