Don, Zon And Ota In Wheat

CAS Number

51481-10-8

Alternate CAS Number

Triacetate salt: 51550-28-8

Unlabelled CAS Number

-

Molecular Formula

C15 H20 O6

Molecular Weight

296.32

Accurate Mass

296.126

SMILES

CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@]34CO4)[C@@]2(CO)[C@H](O)C1=O

InChI

InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1

CAS Number

303-47-9

Alternate CAS Number

-

Unlabelled CAS Number

-

Molecular Formula

C20 H18 Cl N O6

Molecular Weight

403.81

Accurate Mass

403.0823

SMILES

C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1

InChI

InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1

IUPAC

(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid

CAS Number

17924-92-4

Alternate CAS Number

-

Unlabelled CAS Number

-

Molecular Formula

C18 H22 O5

Molecular Weight

318.36

Accurate Mass

318.1467

SMILES

C[C@H]1CCCC(=O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1

InChI

InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1

IUPAC

(2E,11S)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione