SpectraBase Compound ID | 3Za0DCp9mA5 |
---|---|
InChI | InChI=1S/C66H74O39.C2HF3O2/c67-19-36-46(77)51(82)56(87)62(101-36)95-28-7-1-24(2-8-28)5-11-42(73)92-21-38-48(79)53(84)58(89)64(103-38)98-33-13-26(61-35(17-30-31(70)15-27(69)16-32(30)97-61)100-66-60(91)55(86)50(81)40(105-66)23-94-44(75)18-41(71)72)14-34(45(33)76)99-65-59(90)54(85)49(80)39(104-65)22-93-43(74)12-6-25-3-9-29(10-4-25)96-63-57(88)52(83)47(78)37(20-68)102-63;3-2(4,5)1(6)7/h1-17,36-40,46-60,62-68,77-91H,18-23H2,(H3-,69,70,71,72,76);(H,6,7)/b11-5+,12-6+;/t36-,37-,38-,39+,40-,46-,47-,48-,49+,50-,51+,52+,53+,54-,55+,56-,57-,58-,59+,60-,62-,63-,64-,65+,66-;/m1./s1 |
InChIKey | RHQVVNOFRFKFGQ-JODWAYDHSA-N |
Mol Weight | 1605.3 g/mol |
Molecular Formula | C68H75F3O41 |
Exact Mass | 1604.373586 g/mol |
Parent InChIKey | MVIFHGNGLIHLJI-HPOACESQSA-N |
Enantiomer InChIKey | RHQVVNOFRFKFGQ-OSZIQMDOSA-N |
Title | Journal or Book | Year |
---|---|---|
Five New Anthocyanins, Ternatins A3, B4, B3, B2, and D2, from Clitoria ternatea Flowers | Journal of Natural Products | 1996 |
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