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CHEBI:226466 - Microeunicellol B

ChEBI IDCHEBI:226466
ChEBI NameMicroeunicellol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O5
Net Charge0
Average Mass362.466
Monoisotopic Mass362.20932
SMILESC=C1CC[C@@H](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/C21H30O5/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/h7,10,12,15,17-19,22H,3,5-6,8-9,11H2,1-2,4H3,(H,23,24)/b14-10-,16-7+/t15-,17+,18+,19+/m0/s1
InChIKeyFOHWARMRVFHGNY-CNGIZHKNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32367724)
ChEBI Ontology
Outgoing Relation(s)
Microeunicellol B (CHEBI:226466) is a germacrane sesquiterpenoid (CHEBI:68588)
IUPAC Name 
(1S,4aS,6R,7E,11Z,12aS)-6-hydroxy-11-methoxycarbonyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,9,10,12a-octahydro-1H-benzo[10]annulene-7-carboxylic acid