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CHEBI:198193 - Tianchimycin B

ChEBI IDCHEBI:198193
ChEBI NameTianchimycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O8
Net Charge0
Average Mass508.652
Monoisotopic Mass508.30362
SMILESCC1C[C@H](C)[C@H](OC2O[C@H](C)C[C@](O)(C(C)O)[C@H]2O)[C@@H](C)/C=C/C(=O)O[C@H](C)[C@@H](C)/C=C/C=C/C1=O
InChIInChI=1S/C28H44O8/c1-16-10-8-9-11-23(30)18(3)14-19(4)25(17(2)12-13-24(31)35-21(16)6)36-27-26(32)28(33,22(7)29)15-20(5)34-27/h8-13,16-22,25-27,29,32-33H,14-15H2,1-7H3/b10-8+,11-9+,13-12+/t16-,17-,18?,19-,20+,21+,22?,25+,26-,27?,28-/m0/s1
InChIKeyICULWXFZOQBDSR-RTUJLLOQSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix (ncbitaxon:2071) - DOI (10.1016/j.tet.2013.05.094)
ChEBI Ontology
Outgoing Relation(s)
Tianchimycin B (CHEBI:198193) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5S,6S,7S,11E,13E,15S,16R)-6-[(3R,4S,6R)-3,4-dihydroxy-4-(1-hydroxyethyl)-6-methyloxan-2-yl]oxy-5,7,9,15,16-pentamethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione