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CHEBI:227933 - Phomanolide

ChEBI IDCHEBI:227933
ChEBI NamePhomanolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O3
Net Charge0
Average Mass236.311
Monoisotopic Mass236.14124
SMILESC=C1CCC[C@]2(C)[C@H]3COC(=O)[C@H]3CC[C@@]12O
InChIInChI=1S/C14H20O3/c1-9-4-3-6-13(2)11-8-17-12(15)10(11)5-7-14(9,13)16/h10-11,16H,1,3-8H2,2H3/t10-,11-,13+,14+/m0/s1
InChIKeyRXJQZGPEIDAJIL-CDGCEXEKSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies (ncbitaxon:1707701) - DOI (10.1016/j.phytol.2018.11.005)
ChEBI Ontology
Outgoing Relation(s)
Phomanolide (CHEBI:227933) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(3aS,5aR,9aR,9bS)-5a-hydroxy-9a-methyl-6-methylidene-1,3a,4,5,7,8,9,9b-octahydrobenzo[e][2]benzouran-3-one