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CHEBI:216718 - 2-O-deacetylpestalotiopsin B

ChEBI IDCHEBI:216718
ChEBI Name2-O-deacetylpestalotiopsin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O5
Net Charge0
Average Mass298.379
Monoisotopic Mass298.17802
SMILESCO[C@@H]1C=C(C)C[C@H](O)[C@]23O[C@@H](O)[C@@H]([C@H]1O)[C@H]2CC3(C)C
InChIInChI=1S/C16H26O5/c1-8-5-10(20-4)13(18)12-9-7-15(2,3)16(9,11(17)6-8)21-14(12)19/h5,9-14,17-19H,6-7H2,1-4H3/t9-,10-,11+,12-,13+,14-,16-/m1/s1
InChIKeyGEHULRSPWWAYSV-TWWCOLMVSA-N
Species of MetaboliteComponentSourceComments
Seiridium (ncbitaxon:138063) - DOI (10.1016/j.tet.2020.131197)
ChEBI Ontology
Outgoing Relation(s)
2-O-deacetylpestalotiopsin B (CHEBI:216718) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,2S,6R,7R,8R,9R,13R)-6-methoxy-4,11,11-trimethyl-12-oxatricyclo[6.3.2.01,9]tridec-4-ene-2,7,13-triol