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Substance Name: Benanomicin B
RN: 116249-66-2
InChIKey: IHIIRQILYAXIOH-NUVDETJMSA-N

Note

  • From Actinomycete sp. MH193-16F4.

Molecular Weight

  • 826.757
 
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Names and Synonyms

Name of Substance

  • Benanomicin B

Synonym

  • Pradimicin C

Systematic Name

  • D-Alanine, N-((5-((4-amino-4,6-dideoxy-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-

Registry Numbers

CAS Registry Number

  • 116249-66-2

System Generated Number

  • 0116249662

Structure Descriptors

InChI

1S/C39H42N2O18/c1-10-5-17-23(30(48)20(10)36(52)41-11(2)37(53)54)22-15(8-16-24(31(22)49)27(45)14-6-13(55-4)7-18(42)21(14)26(16)44)28(46)34(17)58-39-33(51)35(25(40)12(3)57-39)59-38-32(50)29(47)19(43)9-56-38/h5-8,11-12,19,25,28-29,32-35,38-39,42-43,46-51H,9,40H2,1-4H3,(H,41,52)(H,53,54)/t11-,12-,19-,25+,28+,29+,32-,33-,34+,35+,38+,39+/m1/s1

InChIKey

IHIIRQILYAXIOH-NUVDETJMSA-N

Smiles

c1(c2c3c(c4C(c5cc(cc(c5C(c4cc3[C@H](O)[C@H](c2cc(c1C(N[C@@H](C(O)=O)C)=O)C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)N)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)=O)O)OC)=O)O)O