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CHEBI:220928 - TMC-151E

ChEBI IDCHEBI:220928
ChEBI NameTMC-151E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H76O16
Net Charge0
Average Mass849.065
Monoisotopic Mass848.51334
SMILESCC[C@H](C)C[C@H](C)C[C@H](C)[C@@H](OC1OC(COC(C)=O)C(O)C(O)C1O)[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)[C@H](O)CO
InChIInChI=1S/C43H76O16/c1-12-21(2)13-22(3)14-27(8)41(59-43-40(54)39(53)38(52)33(58-43)20-56-30(11)45)28(9)16-25(6)34(48)23(4)15-24(5)35(49)26(7)17-29(10)42(55)57-19-32(47)37(51)36(50)31(46)18-44/h15-17,21-23,26-28,31-41,43-44,46-54H,12-14,18-20H2,1-11H3/b24-15+,25-16+,29-17+/t21-,22-,23-,26-,27-,28-,31+,32+,33?,34-,35+,36+,37+,38?,39?,40?,41+,43?/m0/s1
InChIKeyIQGUPVKWTFQNJP-KLGMDKHESA-N
Species of MetaboliteComponentSourceComments
Clonostachys rosea f. catenulata (ncbitaxon:62888) - DOI (10.1016/s0040-4020(99)00408-1)
ChEBI Ontology
Outgoing Relation(s)
TMC-151E (CHEBI:220928) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] (2E,4S,5S,6E,8S,9S,10E,12S,13R,14S,16S,18S)-13-[6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethylicosa-2,6,10-trienoate
Manual XrefsDatabases
78445302ChemSpider