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Mammea B/AB, (-)-

PropertiesImage
MNX_IDMNXM106422 Image of MNXM106422
referencechebi:69987
formulaC22H28O5
global charge0
mol weight372.461
InChIKeyPQMOXTJVIYEOQL-ZDUSSCGKSA-N
InChIInChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-15(10-9-12(3)4)20(25)18(21(26)17(14)22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3/t13-/m0/s1
SMILESCCCC1=CC(=O)OC2=C1C(O)=C(C(=O)[C@@H](C)CC)C(O)=C2CC=C(C)C
MNX internals
InChI (mnx)InChI=1/C22H28O5/c1-6-8-14-11-16(23)27-22-15(10-9-12(3)4)20(25)18(21(26)17(14)22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3/t13-/m0/s1 Image of MNXM106422
SMILES (mnx)[CH3:1][CH2:6][CH2:8][C:14]1=[CH:11][C:16](=[O:23])[O:27][C:22]2=[C:15]([CH2:10][CH:9]=[C:12]([CH3:3])[CH3:4])[C:20]([OH:25])=[C:18]([C:19]([C@@H:13]([CH3:5])[CH2:7][CH3:2])=[O:24])[C:21]([OH:26])=[C:17]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:69987
chebi:69987
PQMOXTJVIYEOQL-ZDUSSCGKSA-N 		Mammea B/AB, (-)-
hmdb:HMDB0030782
PQMOXTJVIYEOQL-UHFFFAOYSA-N 		Mammea B/AB
5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(2-methyl-1-oxobutyl)-4-propyl-2H-1-benzopyran-2-one, 9ci
5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(2-methylbutryl)-4-propylcoumarin, 8ci
5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-(2-methylbutyryl)-4-phenylcoumarin
5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-6-(2-methylbutanoyl)-4-propyl-2H-chromen-2-one
5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-6-(2-methylbutanoyl)-4-propylchromen-2-one
MAB 2

CHEBI:174950
chebi:174950
PQMOXTJVIYEOQL-UHFFFAOYSA-N 		Mammea B/AB
5,7-dihydroxy-6-(2-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-propylchromen-2-one

hmdb:HMDB30782 		secondary/obsolete/fantasy identifier