EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:70186 - Tuberatolide B

ChEBI IDCHEBI:70186
ChEBI NameTuberatolide B
Stars
DefinitionA natural product found in Botryllus tuberatus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC27H34O4
Net Charge0
Average Mass422.565
Monoisotopic Mass422.24571
SMILESCC(C)=CCCC1=C[C@@H](C/C(C)=C/CC[C@@]2(C)C=Cc3cc(O)cc(C)c3O2)OC1=O
InChIInChI=1S/C27H34O4/c1-18(2)8-6-10-22-17-24(30-26(22)29)14-19(3)9-7-12-27(5)13-11-21-16-23(28)15-20(4)25(21)31-27/h8-9,11,13,15-17,24,28H,6-7,10,12,14H2,1-5H3/b19-9+/t24-,27+/m1/s1
InChIKeyBNWXBVSPPVIYFO-LSJFATALSA-N
Species of MetaboliteComponentSourceComments
Botryllus tuberatus (WORMS:250109) - PubMed (21142112) Frozen, lyophilized, dried extract of specimen in 50% methanol in dichloromethane
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Tuberatolide B (CHEBI:70186) has role metabolite (CHEBI:25212)
Tuberatolide B (CHEBI:70186) is a diterpene lactone (CHEBI:49193)
Synonym  Source
(2R)-2-[(E)-5-[(2S)-6-hydroxy-2,8-dimethylchromen-2-yl]-2-methylpent-2-enyl]-4-(4-methylpent-3-enyl)-2H-furan-5-oneChEBI
Citations