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CLINOPODIC-ACID-M
SpectraBase Compound ID 3GWX5aCgM7h
InChI InChI=1S/C90H72O40/c91-44-12-1-34(23-54(44)101)3-22-65(107)122-61(83(110)111)30-36-4-18-50(97)78-66(36)71(75(128-78)41-9-15-47(94)57(104)27-41)88(119)124-63(85(114)115)32-38-6-20-52(99)80-68(38)73(77(130-80)43-11-17-49(96)59(106)29-43)90(121)126-64(86(116)117)33-39-7-21-53(100)81-69(39)72(76(129-81)42-10-16-48(95)58(105)28-42)89(120)125-62(84(112)113)31-37-5-19-51(98)79-67(37)70(74(127-79)40-8-14-46(93)56(103)26-40)87(118)123-60(82(108)109)25-35-2-13-45(92)55(102)24-35/h1-24,26-29,60-64,70-77,91-106H,25,30-33H2,(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,116,117)/b22-3+/t60-,61-,62-,63-,64-,70+,71+,72+,73+,74-,75-,76-,77-/m1/s1
InChIKey IVCOCVYAYVWRNN-PMHOYTJNSA-N
Mol Weight 1793.5 g/mol
Molecular Formula C90H72O40
Exact Mass 1792.359987 g/mol
Enantiomer InChIKey IVCOCVYAYVWRNN-BRKVPXBVSA-N
Unknown Identification

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