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CHEBI:202854 - Tylopiol B

ChEBI IDCHEBI:202854
ChEBI NameTylopiol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O3
Net Charge0
Average Mass428.657
Monoisotopic Mass428.32905
SMILESCC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CCC2C3=CCC4C[C@@H](O)CC[C@]4(C)[C@H](CC(=O)[C@@]21C)O3
InChIInChI=1S/C28H44O3/c1-17(2)18(3)7-8-19(4)22-10-11-23-24-12-9-20-15-21(29)13-14-27(20,5)26(31-24)16-25(30)28(22,23)6/h7-8,12,17-23,26,29H,9-11,13-16H2,1-6H3/b8-7+/t18-,19-,20?,21+,22-,23?,26+,27+,28-/m1/s1
InChIKeyXFCWPFNQLVJSCP-AQFHJPFKSA-N
Species of MetaboliteComponentSourceComments
Tylopilus plumbeoviolaceus (ncbitaxon:182793) - DOI (10.1021/np990494h)
ChEBI Ontology
Outgoing Relation(s)
Tylopiol B (CHEBI:202854) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,2S,5S,14R,15R)-14-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-5-hydroxy-2,15-dimethyl-18-oxatetracyclo[8.7.1.02,7.011,15]octadec-9-en-16-one
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78440915ChemSpider