EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:176199 - Glycinoeclepin C

ChEBI IDCHEBI:176199
ChEBI NameGlycinoeclepin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O8
Net Charge0
Average Mass514.615
Monoisotopic Mass514.25667
SMILES[H][C@@]12C=C3C(C(=O)O)=C(C[C@]45CC[C@]([H])(O4)C(C)(C)C5=O)C[C@@H](O)[C@@]3(C)[C@]1(C)[C@H](C)C[C@H](/C=C(\C)C(=O)O)O2
InChIInChI=1S/C29H38O8/c1-14(23(31)32)9-17-10-15(2)27(5)21(36-17)12-18-22(24(33)34)16(11-19(30)28(18,27)6)13-29-8-7-20(37-29)26(3,4)25(29)35/h9,12,15,17,19-21,30H,7-8,10-11,13H2,1-6H3,(H,31,32)(H,33,34)/b14-9+/t15-,17+,19-,20+,21-,27-,28+,29+/m1/s1
InChIKeyQEICCHKVLICFMW-LFFYKJSYSA-N
ChEBI Ontology
Outgoing Relation(s)
Glycinoeclepin C (CHEBI:176199) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2R,4R,4aS,4bR,5R,9aR)-2-[(E)-2-carboxyprop-1-enyl]-7-[[(1S,4S)-3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]heptan-1-yl]methyl]-5-hydroxy-4,4a,4b-trimethyl-2,3,4,5,6,9a-hexahydroindeno[2,1-b]pyran-8-carboxylic acid