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CHEBI:226460 - Microeunicellol A

ChEBI IDCHEBI:226460
ChEBI NameMicroeunicellol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O5
Net Charge0
Average Mass360.450
Monoisotopic Mass360.19367
SMILESC=C1CCC(=C(C)C)[C@H]2/C=C(\C(=O)OC)CC/C=C(/C(=O)O)[C@H](O)C[C@H]12
InChIInChI=1S/C21H28O5/c1-12(2)15-9-8-13(3)17-11-19(22)16(20(23)24)7-5-6-14(10-18(15)17)21(25)26-4/h7,10,17-19,22H,3,5-6,8-9,11H2,1-2,4H3,(H,23,24)/b14-10-,16-7+/t17-,18-,19-/m1/s1
InChIKeyCUGIPBLERMYTIN-MELDGPRISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32367724)
ChEBI Ontology
Outgoing Relation(s)
Microeunicellol A (CHEBI:226460) is a germacrane sesquiterpenoid (CHEBI:68588)
IUPAC Name 
(4aS,6R,7E,11Z,12aS)-6-hydroxy-11-methoxycarbonyl-4-methylidene-1-propan-2-ylidene-2,3,4a,5,6,9,10,12a-octahydrobenzo[10]annulene-7-carboxylic acid