Search MNXref
 Feedback

5,7-dihydroxy-8-(3-methylbut-2-enyl)-6-(3-methylbutanoyl)-4-propyl-2H-chromen-2-one

PropertiesImage
MNX_IDMNXM102031 Image of MNXM102031
referencechebi:69986
formulaC22H28O5
global charge0
mol weight372.461
InChIKeyVXFHCMCZMKQIMR-UHFFFAOYSA-N
InChIInChI=1S/C22H28O5/c1-6-7-14-11-17(24)27-22-15(9-8-12(2)3)20(25)19(21(26)18(14)22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3
SMILESCCCC1=CC(=O)OC2=C1C(O)=C(C(=O)CC(C)C)C(O)=C2CC=C(C)C
MNX internals
InChI (mnx)InChI=1/C22H28O5/c1-6-7-14-11-17(24)27-22-15(9-8-12(2)3)20(25)19(21(26)18(14)22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3 Image of MNXM102031
SMILES (mnx)[CH3:1][CH2:6][CH2:7][C:14]1=[CH:11][C:17](=[O:24])[O:27][C:22]2=[C:15]([CH2:9][CH:8]=[C:12]([CH3:2])[CH3:3])[C:20]([OH:25])=[C:19]([C:16]([CH2:10][CH:13]([CH3:4])[CH3:5])=[O:23])[C:21]([OH:26])=[C:18]12
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:69986
chebi:69986
VXFHCMCZMKQIMR-UHFFFAOYSA-N 		5,7-dihydroxy-8-(3-methylbut-2-enyl)-6-(3-methylbutanoyl)-4-propyl-2H-chromen-2-one
5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(3-methyl-1-oxobutyl)-4-propyl-2H-benzopyran-2-one
Isomammein
Mammea B/AA
hmdb:HMDB0030781
VXFHCMCZMKQIMR-UHFFFAOYSA-N 		Isomammein
5,7-Dihydroxy-6-isovaleryl-8-(3-methyl-2-butenyl)-4-propylcoumarin, 8ci
5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(3-methyl-1-oxobutyl)-4-propyl-2H-1-benzopyran-2-one, 9ci
5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-6-(3-methylbutanoyl)-4-propyl-2H-chromen-2-one
5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-6-(3-methylbutanoyl)-4-propylchromen-2-one
Mammea b/aa

hmdb:HMDB30781 		secondary/obsolete/fantasy identifier