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alpha-mangostin

PropertiesImage
MNX_IDMNXM102580 Image of MNXM102580
referencechebi:67547
formulaC24H26O6
global charge0
mol weight410.466
InChIKeyGNRIZKKCNOBBMO-UHFFFAOYSA-N
InChIInChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
SMILESCOC1=C(O)C=C2OC3=CC(O)=C(CC=C(C)C)C(O)=C3C(=O)C2=C1CC=C(C)C
MNX internals
InChI (mnx)InChI=1/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 Image of MNXM102580
SMILES (mnx)[CH3:1][C:12]([CH3:2])=[CH:6][CH2:8][C:14]1=[C:22]([OH:27])[C:21]2=[C:19]([CH:10]=[C:16]1[OH:25])[O:30][C:18]1=[CH:11][C:17]([OH:26])=[C:24]([O:29][CH3:5])[C:15]([CH2:9][CH:7]=[C:13]([CH3:3])[CH3:4])=[C:20]1[C:23]2=[O:28]
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:67547
chebi:67547
GNRIZKKCNOBBMO-UHFFFAOYSA-N 		alpha-mangostin
1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
1,3,6-trihydroxy-7-methoxy-2,8-diprenylxanthone
mangostin

seed.compound:cpd06970
seedM:cpd06970
kegg.compound:C10080
keggC:C10080
GNRIZKKCNOBBMO-UHFFFAOYSA-L
GNRIZKKCNOBBMO-UHFFFAOYSA-N 		Mangostin
hmdb:HMDB0035796
GNRIZKKCNOBBMO-UHFFFAOYSA-N 		alpha-Mangostin
1,3,6-Trihydroxy-7-methoxy-2,8-bis(3,3-dimethylallyl)xanthone
1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
1,3,6-Trihydroxy-7-methoxy-2,8-di(3-methyl-2-butenyl)xanthone
1,3,6-Trihydroxy-7-methoxy-2,8-diprenylxanthone
1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
7-O-Methyl-4-desprenylcostatin
7-O-Methyl-gamma-mangostin
Mangostin
a-Mangostin
alpha-Mangosten
alpha-mangostin
delta-Mangostin
mangostin

hmdb:HMDB35796
keggC:M_C10080
seedM:M_cpd06970 		secondary/obsolete/fantasy identifier