CHEBI:222269 - Juglorin

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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 Juglorin
ChEBI ID CHEBI:222269
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H20O7
Net Charge 0
Average Mass 372.373
Monoisotopic Mass 372.12090
InChI InChI=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
InChIKey XDNQAXWRPSTVSE-HIAICRCASA-N
SMILES O=C1C2=C(O)C3=C(C[C@@]4(O[C@H]([C@H]([C@H]3O4)C)CC)CC(=O)O)C=C2C(=O)C=C1
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
20088163 ChemSpider
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