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CYANIN
SpectraBase Compound ID KOZ58rOjrOH
InChI InChI=1S/C27H30O16.ClH/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27;/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32);1H/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-;/m1./s1
InChIKey QDVZZZBBPRFPDG-DHJOXOLYSA-N
Mol Weight 646.98 g/mol
Molecular Formula C27H31ClO16
Exact Mass 646.130063 g/mol
Parent InChIKey RDFLLVCQYHQOBU-ZOTFFYTFSA-N
Enantiomer InChIKey QDVZZZBBPRFPDG-YLYVGBIASA-N
Unknown Identification

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