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CHEBI:203873 - Phellinin A1

ChEBI IDCHEBI:203873
ChEBI NamePhellinin A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O5
Net Charge0
Average Mass448.559
Monoisotopic Mass448.22497
SMILESC=C1CCCC(C)(C)[C@H]1CC[C@@]1(C)C=Cc2c(cc(/C=C/c3ccc(O)c(O)c3)oc2=O)O1
InChIInChI=1S/C28H32O5/c1-18-6-5-13-27(2,3)22(18)12-15-28(4)14-11-21-25(33-28)17-20(32-26(21)31)9-7-19-8-10-23(29)24(30)16-19/h7-11,14,16-17,22,29-30H,1,5-6,12-13,15H2,2-4H3/b9-7+/t22-,28+/m0/s1
InChIKeySJVTTXIXXHXZLO-KKXNBBPWSA-N
Species of MetaboliteComponentSourceComments
Phellinus (ncbitaxon:40470) - PubMed (19713993)
ChEBI Ontology
Outgoing Relation(s)
Phellinin A1 (CHEBI:203873) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(2S)-7-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-2-methylpyrano[4,3-b]pyran-5-one
Manual XrefsDatabases
28286984ChemSpider