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CHEBI:219260 - Epi-cochlioquinone D

ChEBI IDCHEBI:219260
ChEBI NameEpi-cochlioquinone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38O6
Net Charge0
Average Mass470.606
Monoisotopic Mass470.26684
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)[C@H]3C2)C1=O
InChIInChI=1S/C28H38O6/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/h8,13,16,20-22,32H,9-12,14H2,1-7H3/t16-,20+,21+,22+,27+,28-/m0/s1
InChIKeyWVAGHYJGMXPWJS-RBKVTFIQSA-N
Species of MetaboliteComponentSourceComments
Helminthosporium (ncbitaxon:58127) - DOI (10.1016/j.tet.2015.05.044)
ChEBI Ontology
Outgoing Relation(s)
Epi-cochlioquinone D (CHEBI:219260) is a oxanes (CHEBI:46942)
IUPAC Name 
(3R,4aR,6aS,12aR,12bR)-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-[(2S)-4-methyl-3-oxohex-4-en-2-yl]-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthene-8,11-dione