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CHEBI:222269 - Juglorin

ChEBI IDCHEBI:222269
ChEBI NameJuglorin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O7
Net Charge0
Average Mass372.373
Monoisotopic Mass372.12090
SMILESCC[C@@H]1O[C@@]2(CC(=O)O)Cc3cc4c(c(O)c3[C@H](O2)[C@@H]1C)C(=O)C=CC4=O
InChIInChI=1S/C20H20O7/c1-3-14-9(2)19-16-10(7-20(26-14,27-19)8-15(23)24)6-11-12(21)4-5-13(22)17(11)18(16)25/h4-6,9,14,19,25H,3,7-8H2,1-2H3,(H,23,24)/t9-,14+,19-,20+/m1/s1
InChIKeyXDNQAXWRPSTVSE-HIAICRCASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3610827)
ChEBI Ontology
Outgoing Relation(s)
Juglorin (CHEBI:222269) is a quinone (CHEBI:36141)
IUPAC Name 
2-[(1R,13S,15S,16R)-15-ethyl-3-hydroxy-16-methyl-5,8-dioxo-14,17-dioxatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4(9),6,10-tetraen-13-yl]acetic acid
Manual XrefsDatabases
20088163ChemSpider