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CHEBI:203222 - Halawanone A

ChEBI IDCHEBI:203222
ChEBI NameHalawanone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O9
Net Charge0
Average Mass442.420
Monoisotopic Mass442.12638
SMILESCC[C@H]1O[C@@H]2CC(=O)O[C@@H]2c2cc3c(c(O)c21)C(=O)C([C@H]1C[C@@H](O)C(=O)[C@@H](C)O1)=CC3=O
InChIInChI=1S/C23H22O9/c1-3-14-18-11(23-16(31-14)7-17(26)32-23)4-9-12(24)5-10(21(28)19(9)22(18)29)15-6-13(25)20(27)8(2)30-15/h4-5,8,13-16,23,25,29H,3,6-7H2,1-2H3/t8-,13-,14-,15-,16-,23-/m1/s1
InChIKeyVXCYZJAOJKUJMO-RBTFZBJXSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (9784158)
ChEBI Ontology
Outgoing Relation(s)
Halawanone A (CHEBI:203222) is a quinone (CHEBI:36141)
IUPAC Name 
(11R,15R,17R)-17-ethyl-2-hydroxy-5-[(2R,4R,6R)-4-hydroxy-6-methyl-5-oxooxan-2-yl]-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),5,9-tetraene-4,7,13-trione
Manual XrefsDatabases
8224542ChemSpider