EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218402 - Trinulactone B

ChEBI IDCHEBI:218402
ChEBI NameTrinulactone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O6
Net Charge0
Average Mass420.546
Monoisotopic Mass420.25119
SMILESCO[C@H]1OC(=O)C(O)=C1[C@H]1C(C)=CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@@H]3CC[C@]12C
InChIInChI=1S/C24H36O6/c1-13-6-7-14-22(2)11-9-16(26)24(4,12-25)15(22)8-10-23(14,3)18(13)17-19(27)20(28)30-21(17)29-5/h6,14-16,18,21,25-27H,7-12H2,1-5H3/t14-,15-,16+,18-,21+,22-,23+,24+/m1/s1
InChIKeyKFXUSJYJSAQEDZ-DKGBTENXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1177/1934578X1801301105)
ChEBI Ontology
Outgoing Relation(s)
Trinulactone B (CHEBI:218402) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(2S)-3-[(1S,4aR,4bR,7S,8R,8aR,10aS)-7-hydroxy-8-(hydroxymethyl)-2,4b,8,10a-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]-4-hydroxy-2-methoxy-2H-uran-5-one