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Substance Name: Betalains
RN: 37279-84-8
InChIKey: DHHFDKNIEVKVKS-MLZDZRTESA-N

Note

  • Compounds derived from TYROSINE via betalamic acid, including BETAXANTHINS and BETACYANINS. They are found in the Caryophyllales order of PLANTS and some BASIDIOMYCETES.

Classification Code

  • Coloring Agents

Molecular Weight

  • 550.4704
 
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Names and Synonyms

Name of Substance

  • Betalains

MeSH Heading

  • Betalains

Systematic Name

  • Betalains

Registry Numbers

CAS Registry Number

  • 37279-84-8

System Generated Number

  • 0037279848

Structure Descriptors

InChI

1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12?,14-,17-,18-,19+,20-,24+/m1/s1

InChIKey

DHHFDKNIEVKVKS-MLZDZRTESA-N

Smiles

[N+]1(=C\C=C2\C=C(NC(C(=O)O)C2)C(=O)O)\c2c(C[C@@H]1C(=O)[O-])cc(O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c(c2)O