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Substance Name: Tamarixinin A
RN: 140187-46-8
InChIKey: XQMATFFLTOSYRS-UHFFFAOYSA-N

Molecular Formula

  • C75-H52-O48

Molecular Weight

  • 1721.1878
 
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Names and Synonyms

Results Name

  • Tamarixinin A

Synonym

  • Tamarixinin A

Systematic Name

  • D-Glucose, cyclic 4,6-((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 2-(2-(5-carboxy-4-(5-carboxy-2,3-dihydroxyphenoxy)-2,3-dihydroxyphenoxy)-3,4,5-trihydroxybenzoate) 3-(3,4,5-trihydroxybenzoate), cyclic ester with beta-D-glucopyranose cyclic 4,6-((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 3-(3,4,5-trihydroxybenzoate)

Registry Numbers

CAS Registry Number

  • 140187-46-8

System Generated Number

  • 0140187468

Structure Descriptors

InChI

1S/C75H52O48/c76-13-38(62(119-66(103)16-1-25(77)45(88)26(78)2-16)61-34(86)14-112-69(106)19-7-30(82)48(91)54(97)40(19)42-21(71(108)118-61)9-32(84)50(93)56(42)99)116-73(110)23-11-36(52(95)58(101)44(23)87)114-37-12-24-60(59(102)53(37)96)115-35-6-18(5-29(81)47(35)90)68(105)123-75-65(122-74(24)111)64(121-67(104)17-3-27(79)46(89)28(80)4-17)63-39(117-75)15-113-70(107)20-8-31(83)49(92)55(98)41(20)43-22(72(109)120-63)10-33(85)51(94)57(43)100/h1-13,34,38-39,61-65,75,77-102H,14-15H2

InChIKey

XQMATFFLTOSYRS-UHFFFAOYSA-N

Smiles

c1c2cc(c(c1O)O)Oc3c(cc(c(c3O)O)Oc4cc(c(c(c4O)O)O)C(=O)OC(C=O)C(C5C(COC(=O)c6cc(c(c(c6-c7c(cc(c(c7O)O)O)C(=O)O5)O)O)O)O)OC(=O)c8cc(c(c(c8)O)O)O)C(=O)OC9C(C1C(COC(=O)c3cc(c(c(c3-c3c(cc(c(c3O)O)O)C(=O)O1)O)O)O)OC9OC2=O)OC(=O)c1cc(c(c(c1)O)O)O