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CHEBI:213546 - Phellinignin C

ChEBI IDCHEBI:213546
ChEBI NamePhellinignin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O3
Net Charge0
Average Mass280.408
Monoisotopic Mass280.20384
SMILESCC(=O)OC[C@@H]1CC[C@@H](C)[C@H]2CC(C)(C)CC2=C1CO
InChIInChI=1S/C17H28O3/c1-11-5-6-13(10-20-12(2)19)16(9-18)15-8-17(3,4)7-14(11)15/h11,13-14,18H,5-10H2,1-4H3/t11-,13+,14-/m1/s1
InChIKeyRHSQEGAGULETNQ-KWCYVHTRSA-N
Species of MetaboliteComponentSourceComments
Phellinus igniarius (ncbitaxon:40472) - PubMed (31704260)
ChEBI Ontology
Outgoing Relation(s)
Phellinignin C (CHEBI:213546) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(5R,8R,8aR)-4-(hydroxymethyl)-2,2,8-trimethyl-3,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methyl acetate