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Substance Name: Trichomycin B
RN: 12699-00-2
UNII: 9N4285K201
InChIKey: LWTOHQGGAJCWFV-DWWLNLDRSA-N

Note

  • Antibacterial triterpene from Tricholoma sp. AU1.

Molecular Weight

  • 1097.2976
 
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Names and Synonyms

Name of Substance

  • Trichomycin B

Synonyms

  • 33-(3-Amino-3,6-dideoxy-b-D-mannopyranosyloxy)-17-(6-(4-aminophenyl)-4-hydroxy-1-methyl-6-oxohexyl)-1,3,5,7,9,37-hexahydroxy-18-methyl-13,15-dioxo-16,39-dioxabicyclo(33.3.1)nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
  • Trichomycin B
  • UNII-9N4285K201

Registry Numbers

CAS Registry Number

  • 12699-00-2

FDA UNII

  • 9N4285K201

System Generated Number

  • 0012699002

Structure Descriptors

InChI

1S/C58H84N2O18/c1-35-17-14-12-10-8-6-4-5-7-9-11-13-15-20-46(76-57-54(71)52(60)53(70)37(3)75-57)32-49-51(56(72)73)48(68)34-58(74,78-49)33-45(66)29-44(65)28-43(64)27-40(61)18-16-19-41(62)31-50(69)77-55(35)36(2)21-26-42(63)30-47(67)38-22-24-39(59)25-23-38/h4-15,17,20,22-25,35-37,40,42-46,48-49,51-55,57,61,63-66,68,70-71,74H,16,18-19,21,26-34,59-60H2,1-3H3,(H,72,73)/b5-4+,8-6+,9-7+,12-10+,13-11+,17-14+,20-15+/t35-,36-,37+,40?,42-,43+,44-,45-,46?,48-,49-,51+,52-,53+,54-,55-,57-,58+/m0/s1

InChIKey

LWTOHQGGAJCWFV-DWWLNLDRSA-N

Smiles

C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H](C[C@@H](CC(CCCC(=O)CC(=O)O[C@@H]1[C@@H](C)CC[C@@H](CC(=O)c3ccc(cc3)N)O)O)O)O)O)O)O)C(=O)O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)C)O)N)O