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Substance Name: Mallotusinic acid
RN: 66421-47-4
InChIKey: MWPRJJBXNINUTQ-UHFFFAOYSA-N

Molecular Formula

  • C48-H32-O32

Molecular Weight

  • 1120.75
 
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Names and Synonyms

Results Name

  • Mallotusinic acid

Synonym

  • Mallotusinic acid

Systematic Name

  • beta-D-Glucopyranose, cyclic 3-2:6-2'-(4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) cyclic 2-7:4-5-(3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate) 1-(3,4,5-trihydroxybenzoate), stereoisomer

Registry Numbers

CAS Registry Number

  • 66421-47-4

System Generated Number

  • 0066421474

Structure Descriptors

InChI

1S/C48H32O32/c49-15-1-9(2-16(50)27(15)55)41(65)79-46-39-38-36(76-45(69)13-7-22(54)48(72)47(70,71)26(13)25-11(43(67)78-39)4-19(53)30(58)37(25)80-48)21(75-46)8-73-42(66)10-3-17(51)28(56)32(60)23(10)24-12(44(68)77-38)6-20(31(59)33(24)61)74-35-14(40(63)64)5-18(52)29(57)34(35)62/h1-7,21,26,36,38-39,46,49-53,55-62,70-72H,8H2,(H,63,64)

InChIKey

MWPRJJBXNINUTQ-UHFFFAOYSA-N

Smiles

c1(c(c(O)cc(C(O[C@@H]2[C@@H]3[C@@H]4OC(=O)c5cc(c(c(c5c5c(c(c(cc5C(OC[C@@H](O2)[C@@H]4OC(=O)C2=CC(=O)[C@@]4(O)Oc5c(c(cc(c5[C@@H]2C4(O)O)C(=O)O3)O)O)=O)O)O)O)O)O)Oc2c(c(c(cc2C(O)=O)O)O)O)=O)c1)O)O