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CHEBI:201908 - 2a,8a-epoxy-epi-deacetylgriseusin B

ChEBI IDCHEBI:201908
ChEBI Name2a,8a-epoxy-epi-deacetylgriseusin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O10
Net Charge0
Average Mass420.370
Monoisotopic Mass420.10565
SMILESC[C@@H]1C[C@H](O)[C@@H](O)[C@@]2(O[C@H](CC(=O)O)C[C@@]34O[C@@]23C(=O)c2c(O)cccc2C4=O)O1
InChIInChI=1S/C20H20O10/c1-8-5-12(22)16(26)20(28-8)19-17(27)14-10(3-2-4-11(14)21)15(25)18(19,30-19)7-9(29-20)6-13(23)24/h2-4,8-9,12,16,21-22,26H,5-7H2,1H3,(H,23,24)/t8-,9-,12+,16-,18+,19-,20+/m1/s1
InChIKeyZRTFDOHHKNWDGO-UAJALOPQSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsisspecies (ncbitaxon:310350) - PubMed (17877337)
ChEBI Ontology
Outgoing Relation(s)
2a,8a-epoxy-epi-deacetylgriseusin B (CHEBI:201908) is a organic heterotricyclic compound (CHEBI:26979)
2a,8a-epoxy-epi-deacetylgriseusin B (CHEBI:201908) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[(1R,3'R,4'S,6'R,10S,11S,13S)-3',4',7-trihydroxy-6'-methyl-2,9-dioxospiro[12,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-triene-11,2'-oxane]-13-yl]acetic acid