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Mammea E/BA

PropertiesImage
MNX_IDMNXM127662 Image of MNXM127662
referencechebi:175485
formulaC24H30O7
global charge0
mol weight430.497
InChIKeyYOWZJSSQEMLPTC-UHFFFAOYSA-N
InChIInChI=1S/C24H30O7/c1-7-18(30-14(6)25)16-11-19(27)31-24-20(16)22(28)15(9-8-12(2)3)23(29)21(24)17(26)10-13(4)5/h8,11,13,18,28-29H,7,9-10H2,1-6H3
SMILESCCC(OC(C)=O)C1=CC(=O)OC2=C1C(O)=C(CC=C(C)C)C(O)=C2C(=O)CC(C)C
MNX internals
InChI (mnx)InChI=1/C24H30O7/c1-7-18(30-14(6)25)16-11-19(27)31-24-20(16)22(28)15(9-8-12(2)3)23(29)21(24)17(26)10-13(4)5/h8,11,13,18,28-29H,7,9-10H2,1-6H3/t18? Image of MNXM127662
SMILES (mnx)[CH3:1][CH2:7][CH:18]([C:16]1=[CH:11][C:19](=[O:27])[O:31][C:24]2=[C:21]([C:17]([CH2:10][CH:13]([CH3:4])[CH3:5])=[O:26])[C:23]([OH:29])=[C:15]([CH2:9][CH:8]=[C:12]([CH3:2])[CH3:3])[C:22]([OH:28])=[C:20]12)[O:30][C:14]([CH3:6])=[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:175485
chebi:175485
YOWZJSSQEMLPTC-UHFFFAOYSA-N 		Mammea E/BA
1-[5,7-dihydroxy-8-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)-2-oxochromen-4-yl]propyl acetate
hmdb:HMDB0030815
YOWZJSSQEMLPTC-UHFFFAOYSA-N 		Mammea E/BA
1-[5,7-Dihydroxy-6-(3-methylbut-2-en-1-yl)-8-(3-methylbutanoyl)-2-oxo-2H-chromen-4-yl]propyl acetic acid
1-[5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-8-(3-methylbutanoyl)-2-oxo-2H-chromen-4-yl]propyl acetate
1-[5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-8-(3-methylbutanoyl)-2-oxochromen-4-yl]propyl acetate
Mammea e/ba cyclo D

hmdb:HMDB30815 		secondary/obsolete/fantasy identifier