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CHEBI:219768 - Nectripenoid B

ChEBI IDCHEBI:219768
ChEBI NameNectripenoid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O6
Net Charge0
Average Mass468.590
Monoisotopic Mass468.25119
SMILESCC=C(C)C(=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)C3=C2)C1=O
InChIInChI=1S/C28H36O6/c1-8-15(2)23(30)16(3)17-13-19(29)18-14-20-27(6)11-9-21(26(4,5)32)33-22(27)10-12-28(20,7)34-25(18)24(17)31/h8,13-14,16,21-22,32H,9-12H2,1-7H3/t16-,21+,22+,27+,28+/m0/s1
InChIKeyCAYWUJRUZNRPFX-RKEMPICLSA-N
Species of MetaboliteComponentSourceComments
Nectria (ncbitaxon:5133) - PubMed (29797385)
ChEBI Ontology
Outgoing Relation(s)
Nectripenoid B (CHEBI:219768) is a pyrans (CHEBI:26407)
IUPAC Name 
(3R,4aR,6aR,12bR)-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-[(2S)-4-methyl-3-oxohex-4-en-2-yl]-1,2,3,4a,5,6-hexahydropyrano[3,2-a]xanthene-8,11-dione