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CHEBI:35024 - Trichomycin B

ChEBI IDCHEBI:35024
ChEBI NameTrichomycin B
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC58H84N2O18
Net Charge0
Average Mass1097.306
Monoisotopic Mass1096.57191
SMILESCC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC2OC(O)(CC(O)CC(O)CC(O)CC(O)CCCC(=O)CC(=O)OC1C(C)CCC(O)CC(=O)c1ccc(N)cc1)CC(O)C2C(=O)O
InChIInChI=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?/m1/s1
InChIKeyLWTOHQGGAJCWFV-PLHGDVIKSA-N
ChEBI Ontology
Outgoing Relation(s)
Trichomycin B (CHEBI:35024) is a macrolide (CHEBI:25106)
Synonym  Source
Trichomycin BKEGG COMPOUND
Manual XrefsDatabases
C13451KEGG COMPOUND
Registry NumbersSources
CAS:12699-00-2KEGG COMPOUND