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Substance Name: Melacacidin
RN: 38081-16-2
InChIKey: JEUXGAUBSWADEA-MRVWCRGKSA-N

Note

  • From Australian blackwood; causes contact dermatitis.

Molecular Formula

  • C15-H14-O7

Molecular Weight

  • 306.2686
 
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Names and Synonyms

Name of Substance

  • Melacacidin

Synonym

  • 3,3',4,4',7,8-Hexahydroxyflavan

Systematic Name

  • 2H-1-Benzopyran-3,4,7,8-tetrol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-(2alpha,3alpha,4alpha))-

Registry Numbers

CAS Registry Number

  • 38081-16-2

System Generated Number

  • 0038081162

Structure Descriptors

InChI

1S/C15H14O7/c16-8-3-1-6(5-10(8)18)14-13(21)11(19)7-2-4-9(17)12(20)15(7)22-14/h1-5,11,13-14,16-21H/t11-,13-,14-/m1/s1

InChIKey

JEUXGAUBSWADEA-MRVWCRGKSA-N

Smiles

c1cc(c(cc1[C@@H]2[C@@H]([C@@H](c3ccc(c(c3O2)O)O)O)O)O)O