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CHEBI:203333 - TMC-154

ChEBI IDCHEBI:203333
ChEBI NameTMC-154
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H72O14
Net Charge0
Average Mass789.013
Monoisotopic Mass788.49221
SMILESCC[C@H](C)C[C@H](C)/C=C(\C)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](OC)[C@H](O)[C@@H]1O)[C@@H](C)/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)C(=O)OC[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C41H72O14/c1-12-21(2)13-22(3)14-27(8)38(55-41-37(50)36(49)39(52-11)32(19-43)54-41)28(9)16-25(6)33(46)23(4)15-24(5)34(47)26(7)17-29(10)40(51)53-20-31(45)35(48)30(44)18-42/h14-17,21-23,26,28,30-39,41-50H,12-13,18-20H2,1-11H3/b24-15+,25-16+,27-14+,29-17+/t21-,22-,23-,26-,28-,30+,31+,32+,33-,34+,35+,36+,37-,38+,39+,41-/m0/s1
InChIKeyOBPQMRUXOXZBPH-GOYUESPXSA-N
Species of MetaboliteComponentSourceComments
Gliocladium (ncbitaxon:62887) - PubMed (10695675)
ChEBI Ontology
Outgoing Relation(s)
TMC-154 (CHEBI:203333) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl] (2E,4S,5S,6E,8S,9S,10E,12S,13S,14E,16S,18S)-13-[(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethylicosa-2,6,10,14-tetraenoate
Manual XrefsDatabases
8072822ChemSpider