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CHEBI:221909 - Thioangucycline B

ChEBI IDCHEBI:221909
ChEBI NameThioangucycline B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H36O10S
Net Charge0
Average Mass708.785
Monoisotopic Mass708.20292
SMILESCOc1cccc2c1[C@@H](O)c1c(Sc3cc4c(c5c3[C@H](O)c3c(OC)cccc3[C@@H]5O)C(=O)C[C@](C)(O)C4)cc3c(c1C2=O)C(=O)C[C@](C)(O)C3
InChIInChI=1S/C40H36O10S/c1-39(47)13-17-11-25(31-33(27(17)21(41)15-39)35(43)19-7-5-9-23(49-3)29(19)37(31)45)51-26-12-18-14-40(2,48)16-22(42)28(18)34-32(26)38(46)30-20(36(34)44)8-6-10-24(30)50-4/h5-12,35,37-38,43,45-48H,13-16H2,1-4H3/t35-,37+,38+,39+,40+/m0/s1
InChIKeyHKMDGBLVBSZZGX-QANDYNDUSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CB00072 (ncbitaxon:1703928) - PubMed (33465268)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Thioangucycline B (CHEBI:221909) is a phenanthrol (CHEBI:25962)