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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2a,8a-epoxy-epi-deacetylgriseusin B
ChEBI ID CHEBI:201908
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H20O10
Net Charge 0
Average Mass 420.370
Monoisotopic Mass 420.10565
InChI InChI=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
InChIKey ZRTFDOHHKNWDGO-UAJALOPQSA-N
SMILES O=C1C2=C(O)C=CC=C2C(=O)[C@@]34[C@@]1(O3)[C@]5(O[C@H](CC(=O)O)C4)O[C@@H](C[C@@H]([C@H]5O)O)C
Metabolite of Species Details
Nocardiopsisspecies (NCBI:txid310350) See: PubMed
ChEBI Ontology
Outgoing 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