CHEBI:212479 - 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 Epi-deacetylgriseusin B
ChEBI ID CHEBI:212479
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H20O9
Net Charge 0
Average Mass 404.371
Monoisotopic Mass 404.11073
InChI InChI=1S/C20H20O9/c1-8-5-13(22)19(27)20(28-8)16-11(6-9(29-20)7-14(23)24)17(25)10-3-2-4-12(21)15(10)18(16)26/h2-4,8-9,13,19,21-22,27H,5-7H2,1H3,(H,23,24)/t8-,9+,13+,19-,20-/m1/s1
InChIKey VNNLNRPAIDMNEB-WPPLHGJESA-N
SMILES O=C1C2=C(O)C=CC=C2C(=O)C3=C1[C@]4(O[C@@H](C3)CC(=O)O)O[C@@H](C[C@@H]([C@H]4O)O)C
Metabolite of Species Details
Nocardiopsisspecies (NCBI:txid310350) See: PubMed
Roles Classification
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Epi-deacetylgriseusin B (CHEBI:212479) is a benzoisochromanequinone (CHEBI:48129)
IUPAC Name
2-[(1R,3S,3'R,4'S,6'R)-3',4',9-trihydroxy-6'-methyl-5,10-dioxospiro[3,4-dihydrobenzo[g]isochromene-1,2'-oxane]-3-yl]acetic acid
Manual Xref Database
23289502 ChemSpider
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