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CHEBI:214407 - Phomanolide B

ChEBI IDCHEBI:214407
ChEBI NamePhomanolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O6
Net Charge0
Average Mass416.514
Monoisotopic Mass416.21989
SMILESC/C1=C/CC(C)(C)/C=C/C[C@]2(C)OC3=CC(=O)O[C@]4(C)CC(=O)O[C@]34C[C@H]2C[C@@H]1O
InChIInChI=1S/C24H32O6/c1-15-7-10-21(2,3)8-6-9-22(4)16(11-17(15)25)13-24-18(28-22)12-19(26)29-23(24,5)14-20(27)30-24/h6-8,12,16-17,25H,9-11,13-14H2,1-5H3/b8-6+,15-7-/t16-,17+,22+,23-,24-/m1/s1
InChIKeyFWDUNYAYYMYOQL-MBFUXWLISA-N
Species of MetaboliteComponentSourceComments
Phomaspecies (ncbitaxon:1707701) - PubMed (26651221)
ChEBI Ontology
Outgoing Relation(s)
Phomanolide B (CHEBI:214407) is a furopyran (CHEBI:74927)
IUPAC Name 
(1R,3S,7R,13S,15E,19Z,21S)-21-hydroxy-7,13,17,17,20-pentamethyl-4,8,12-trioxatetracyclo[11.9.0.03,7.03,11]docosa-10,15,19-triene-5,9-dione
Manual XrefsDatabases
44210715ChemSpider