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CHEBI:221060 - 8alpha-monoacetoxyphomadecalin D

ChEBI IDCHEBI:221060
ChEBI Name8alpha-monoacetoxyphomadecalin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILESC=C(CO)[C@@]12O[C@@H]1[C@@]1(C)C(=C[C@@H]2OC(C)=O)C=C[C@@H](O)[C@@H]1C
InChIInChI=1S/C17H22O5/c1-9(8-18)17-14(21-11(3)19)7-12-5-6-13(20)10(2)16(12,4)15(17)22-17/h5-7,10,13-15,18,20H,1,8H2,2-4H3/t10-,13+,14-,15+,16+,17-/m0/s1
InChIKeyUNYRPNAJDZDQFG-CHXCLDMJSA-N
Species of MetaboliteComponentSourceComments
Microdiplodia (ncbitaxon:371130) - DOI (10.1016/j.phytol.2015.10.004)
ChEBI Ontology
Outgoing Relation(s)
8alpha-monoacetoxyphomadecalin D (CHEBI:221060) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1aS,2S,6R,7R,7aR,7bR)-6-hydroxy-1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-2,6,7,7b-tetrahydronaphtho[1,2-b]oxiren-2-yl] acetate
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78442051ChemSpider