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CHEBI:223136 - Halawanone B

ChEBI IDCHEBI:223136
ChEBI NameHalawanone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O9
Net Charge0
Average Mass428.393
Monoisotopic Mass428.11073
SMILESC[C@H]1O[C@@H](C2=CC(=O)c3cc4c(c(O)c3C2=O)[C@@H](C)O[C@@H]2CC(=O)O[C@H]42)C[C@@H](O)C1=O
InChIInChI=1S/C22H20O9/c1-7-17-11(22-15(29-7)6-16(25)31-22)3-9-12(23)4-10(20(27)18(9)21(17)28)14-5-13(24)19(26)8(2)30-14/h3-4,7-8,13-15,22,24,28H,5-6H2,1-2H3/t7-,8-,13-,14-,15-,22-/m1/s1
InChIKeyYGVMUNHDZVDGIR-FEHICGGUSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (9784158)
ChEBI Ontology
Outgoing Relation(s)
Halawanone B (CHEBI:223136) is a quinone (CHEBI:36141)
IUPAC Name 
(11R,15R,17R)-2-hydroxy-5-[(2R,4R,6R)-4-hydroxy-6-methyl-5-oxooxan-2-yl]-17-methyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),5,9-tetraene-4,7,13-trione
Manual XrefsDatabases
8653059ChemSpider