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CHEBI:217646 - 12-alpha-hydroxy-epi-cochlioquinone D

ChEBI IDCHEBI:217646
ChEBI Name12-alpha-hydroxy-epi-cochlioquinone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38O7
Net Charge0
Average Mass486.605
Monoisotopic Mass486.26175
SMILESC/C=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]3[C@@H]2O)C1=O
InChIInChI=1S/C28H38O7/c1-8-14(2)21(30)15(3)16-13-17(29)20-23(32)25-27(6)11-9-18(26(4,5)33)34-19(27)10-12-28(25,7)35-24(20)22(16)31/h8,13,15,18-19,23,25,32-33H,9-12H2,1-7H3/b14-8+/t15-,18+,19+,23+,25+,27-,28-/m0/s1
InChIKeyHWMRSJKGOYUXJF-FKACKCICSA-N
Species of MetaboliteComponentSourceComments
Helminthosporium (ncbitaxon:58127) - DOI (10.1016/j.tet.2015.05.044)
ChEBI Ontology
Outgoing Relation(s)
12-alpha-hydroxy-epi-cochlioquinone D (CHEBI:217646) is a oxanes (CHEBI:46942)
IUPAC Name 
(3R,4aR,6aS,12S,12aS,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-[(E,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