EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223236 - Trichodermarin B

ChEBI IDCHEBI:223236
ChEBI NameTrichodermarin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O5
Net Charge0
Average Mass308.374
Monoisotopic Mass308.16237
SMILESCC(=O)O[C@@H]1C[C@H]2O[C@@]34C=C(C)CC[C@]3(C)[C@]1(C)[C@]2(CO)O4
InChIInChI=1S/C17H24O5/c1-10-5-6-14(3)15(4)12(20-11(2)19)7-13-16(15,9-18)22-17(14,8-10)21-13/h8,12-13,18H,5-7,9H2,1-4H3/t12-,13-,14-,15-,16-,17-/m1/s1
InChIKeyLQGKPIOCOMRQQA-HDKMNVHJSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (30860372)
ChEBI Ontology
Outgoing Relation(s)
Trichodermarin B (CHEBI:223236) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1R,6R,7S,8R,10R,11R)-11-(hydroxymethyl)-3,6,7-trimethyl-12,13-dioxatetracyclo[8.2.1.01,6.07,11]tridec-2-en-8-yl] acetate