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CHEBI:217450 - Ganotheaecoloid C

ChEBI IDCHEBI:217450
ChEBI NameGanotheaecoloid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O6
Net Charge0
Average Mass376.449
Monoisotopic Mass376.18859
SMILESC=C1CC[C@H](O)C(C)(C)[C@@H]1CCC(CC(=O)c1cc(O)ccc1O)C(=O)O
InChIInChI=1S/C21H28O6/c1-12-4-9-19(25)21(2,3)16(12)7-5-13(20(26)27)10-18(24)15-11-14(22)6-8-17(15)23/h6,8,11,13,16,19,22-23,25H,1,4-5,7,9-10H2,2-3H3,(H,26,27)/t13?,16-,19+/m1/s1
InChIKeyLABIJKGJRWZQNA-HIYLDEIPSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (29378219)
ChEBI Ontology
Outgoing Relation(s)
Ganotheaecoloid C (CHEBI:217450) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
4-(2,5-dihydroxyphenyl)-2-[2-[(1R,3S)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-4-oxobutanoic acid