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CHEBI:197659 - Phomadecalin B

ChEBI IDCHEBI:197659
ChEBI NamePhomadecalin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILESC=C(COC(C)=O)[C@@]12O[C@@H]1[C@@]1(C)C(=C[C@H]2O)C=C[C@@H](O)[C@@H]1C
InChIInChI=1S/C17H22O5/c1-9(8-21-11(3)18)17-14(20)7-12-5-6-13(19)10(2)16(12,4)15(17)22-17/h5-7,10,13-15,19-20H,1,8H2,2-4H3/t10-,13+,14+,15+,16+,17-/m0/s1
InChIKeyYSHGMEBFNCQBIY-GPJUBECRSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies NRRL 25697 (ncbitaxon:696192) - PubMed (11908990)
ChEBI Ontology
Outgoing Relation(s)
Phomadecalin B (CHEBI:197659) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(1aS,2R,6R,7R,7aR,7bR)-2,6-dihydroxy-7,7a-dimethyl-2,6,7,7b-tetrahydronaphtho[1,2-b]oxiren-1a-yl]prop-2-enyl acetate
Manual XrefsDatabases
8170898ChemSpider