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Substance Name: Mallotinic acid
RN: 66369-82-2
InChIKey: VKWURQVMXXDUDC-LBKKVMGCSA-N

Molecular Formulas

  • C34-H26-O23
  • C34-H26-O26

Molecular Weight

  • 802.5564
 
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Names and Synonyms

Results Name

  • Mallotinic acid

Synonym

  • Mallotinic acid

Systematic Name

  • beta-D-glucopyranose, cyclic 3,6-(4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 1-(3,4,5-trihydroxybenzoate)

Registry Numbers

CAS Registry Number

  • 66369-82-2

System Generated Number

  • 0066369822

Structure Descriptors

InChI

1S/C34H26O23/c35-6-8-1-14(38)21(41)25(45)19(8)9-2-13(37)17(55-29-12(32(52)53)4-16(40)23(43)27(29)47)5-10(9)33(54)57-34(30(49)28(48)24(44)18(7-36)56-34)20-11(31(50)51)3-15(39)22(42)26(20)46/h1-7,18,24,28,30,37-49H,(H,50,51)(H,52,53)/t18-,24-,28+,30-,34+/m1/s1

InChIKey

VKWURQVMXXDUDC-LBKKVMGCSA-N

Smiles

c1c(c(c(c(c1O)O)O)c2cc(c(cc2C(=O)O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)C=O)O)O)O)c4c(cc(c(c4O)O)O)C(=O)O)Oc5c(cc(c(c5O)O)O)C(=O)O)O)C=O