EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:212075 - Tartrolon G

ChEBI IDCHEBI:212075
ChEBI NameTartrolon G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H72O14
Net Charge0
Average Mass825.046
Monoisotopic Mass824.49221
SMILESC[C@@H]1CC[C@H]2CC(O)C[C@@H](O)CC/C=C\C=C/CC[C@H](C)OC(=O)C(O)[C@]3(O)O[C@@H](CC[C@H]3C)CC(O)C[C@@H](O)CC/C=C\C=C/CC[C@H](C)OC(=O)C(O)[C@]1(O)O2
InChIInChI=1S/C44H72O14/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/h5-12,29-40,45-50,53-54H,13-28H2,1-4H3/b9-5-,10-6-,11-8-,12-7-/t29-,30-,31+,32+,33+,34+,35?,36?,37+,38+,39?,40?,43-,44-/m1/s1
InChIKeyFXGOCVGCVFBLCI-DUWZJFMFSA-N
Species of MetaboliteComponentSourceComments
Gynuella (ncbitaxon:1445504) - PubMed (31308532)
ChEBI Ontology
Outgoing Relation(s)
Tartrolon G (CHEBI:212075) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,5S,8Z,10E,14S,18S,21R,22R,26S,29Z,31E,35S,39S,42R)-1,2,14,16,22,23,35,37-octahydroxy-5,21,26,42-tetramethyl-4,25,43,44-tetraoxatricyclo[37.3.1.118,22]tetratetraconta-8,10,29,31-tetraene-3,24-dione
Manual XrefsDatabases
88293795ChemSpider