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MKT

Summary
Name:1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Synonyms:Gamma-mangostin
Formula:C23 H24 O6
Formal charge:0
Formula weight:396.433 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
OpenEye OEToolkits1.9.21,7-bis(3-methylbut-2-enyl)-2,3,6,8-tetrakis(oxidanyl)xanthen-9-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(C)=[C@H]Cc1c(O)cc2Oc3c(C(c2c1O)=O)c(c(c(c3)O)O)C[C@H]=C(C)C
InChIInChI1.03InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3
InChIKeyInChI1.03VEZXFTKZUMARDU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)=CCc1c(O)cc2Oc3cc(O)c(O)c(CC=C(C)C)c3C(=O)c2c1O
SMILESCACTVS3.385CC(C)=CCc1c(O)cc2Oc3cc(O)c(O)c(CC=C(C)C)c3C(=O)c2c1O
SMILES_CANONICALOpenEye OEToolkits1.9.2CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)O)O)O2)O)C
SMILESOpenEye OEToolkits1.9.2CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)O)O)O2)O)C

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数据于2024-07-31公开中

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