CHEBI:206040 - Tartrolon D

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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 Tartrolon D
ChEBI ID CHEBI:206040
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H68O14
Net Charge 0
Average Mass 821.014
Monoisotopic Mass 820.46091
InChI InChI=1S/C44H68O14/c1-29-21-23-37-27-35(47)25-33(45)19-15-11-8-6-10-14-18-32(4)56-42(52)40(50)44(54)30(2)22-24-38(58-44)28-36(48)26-34(46)20-16-12-7-5-9-13-17-31(3)55-41(51)39(49)43(29,53)57-37/h5-12,29-34,37-40,45-46,49-50,53-54H,13-28H2,1-4H3/b9-5-,10-6-,11-8-,12-7-/t29-,30-,31+,32+,33+,34+,37+,38+,39?,40?,43-,44-/m1/s1
InChIKey OHYKIDCHGZQVCM-CPMOWJHRSA-N
SMILES O=C1O[C@H](CCC=CC=CCC[C@H](O)CC(=O)C[C@H]2O[C@@](O)(C(O)C(=O)O[C@H](CCC=CC=CCC[C@@H](CC(C[C@H]3O[C@](C1O)(O)[C@@H](CC3)C)=O)O)C)[C@H](C)CC2)C
Metabolite of Species Details
Streptomycesspecies MDG-04-17-069 (NCBI:txid698778) See: PubMed
ChEBI Ontology
Outgoing Tartrolon D (CHEBI:206040) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,5S,8Z,10E,14S,18S,21R,22R,26S,29Z,31E,35S,39S,42R)-1,2,14,22,23,35-hexahydroxy-5,21,26,42-tetramethyl-4,25,43,44-tetraoxatricyclo[37.3.1.118,22]tetratetraconta-8,10,29,31-tetraene-3,16,24,37-tetrone
Manual Xref Database
24682979 ChemSpider
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