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CHEBI:226130 - Tylopiol A

ChEBI IDCHEBI:226130
ChEBI NameTylopiol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O2
Net Charge0
Average Mass412.658
Monoisotopic Mass412.33413
SMILESCC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CCC2C3=CCC4C[C@@H](O)CC[C@]4(C)C(=CC[C@@]21C)O3
InChIInChI=1S/C28H44O2/c1-18(2)19(3)7-8-20(4)23-10-11-24-25-12-9-21-17-22(29)13-15-27(21,5)26(30-25)14-16-28(23,24)6/h7-8,12,14,18-24,29H,9-11,13,15-17H2,1-6H3/b8-7+/t19-,20-,21?,22+,23-,24?,27+,28-/m1/s1
InChIKeyCINZVIXZRUAXFE-RMTFJZSJSA-N
Species of MetaboliteComponentSourceComments
Tylopilus plumbeoviolaceus (ncbitaxon:182793) - DOI (10.1021/np990494h)
ChEBI Ontology
Outgoing Relation(s)
Tylopiol A (CHEBI:226130) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2S,5S,14R,15R)-14-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyl-18-oxatetracyclo[8.7.1.02,7.011,15]octadeca-1(17),9-dien-5-ol
Manual XrefsDatabases
78441434ChemSpider