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CHEBI:213533 - Phellinignin A

ChEBI IDCHEBI:213533
ChEBI NamePhellinignin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC[C@@H]1CCC2=C(COC2=O)[C@H]2[C@@H]1CC(C)(C)[C@H]2O
InChIInChI=1S/C15H22O3/c1-8-4-5-9-11(7-18-14(9)17)12-10(8)6-15(2,3)13(12)16/h8,10,12-13,16H,4-7H2,1-3H3/t8-,10-,12-,13+/m1/s1
InChIKeyBSQCTJIPFANMHL-DXLKZPDWSA-N
Species of MetaboliteComponentSourceComments
Phellinus igniarius (ncbitaxon:40472) - PubMed (31704260)
ChEBI Ontology
Outgoing Relation(s)
Phellinignin A (CHEBI:213533) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(6R,6aR,9S,9aR)-9-hydroxy-6,8,8-trimethyl-1,4,5,6,6a,7,9,9a-octahydroazuleno[4,5-c]uran-3-one