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CHEBI:205156 - Guanacastepene O

ChEBI IDCHEBI:205156
ChEBI NameGuanacastepene O
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O6
Net Charge0
Average Mass388.460
Monoisotopic Mass388.18859
SMILESCC(=O)O[C@@H]1C(=O)C2=C3OC(=O)C4=C3[C@@](C)(CC[C@@H]4O)CC[C@]2(C)[C@H]1C(C)C
InChIInChI=1S/C22H28O6/c1-10(2)14-19(27-11(3)23)17(25)16-18-15-13(20(26)28-18)12(24)6-7-21(15,4)8-9-22(14,16)5/h10,12,14,19,24H,6-9H2,1-5H3/t12-,14-,19-,21-,22+/m0/s1
InChIKeyQCQNZSFRYFQBAE-PFFHRFORSA-N
ChEBI Ontology
Outgoing Relation(s)
Guanacastepene O (CHEBI:205156) is a carboxylic ester (CHEBI:33308)
Guanacastepene O (CHEBI:205156) is a ketone (CHEBI:17087)
IUPAC Name 
[(4S,5R,6R,9R,12S)-12-hydroxy-6,9-dimethyl-3,14-dioxo-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,13(16)-dien-4-yl] acetate
Manual XrefsDatabases
28288525ChemSpider