CHEBI:198193 - Tianchimycin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tianchimycin B
ChEBI ID CHEBI:198193
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C28H44O8
Net Charge 0
Average Mass 508.652
Monoisotopic Mass 508.30362
InChI InChI=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
InChIKey ICULWXFZOQBDSR-RTUJLLOQSA-N
SMILES O=C1O[C@@H]([C@H](C=CC=CC(=O)C(C[C@@H]([C@@H]([C@H](C=C1)C)OC2O[C@@H](C[C@]([C@H]2O)(O)C(O)C)C)C)C)C)C
Metabolite of Species Details
Saccharothrix (NCBI:txid2071) See: DOI
ChEBI Ontology
Outgoing 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