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CHEBI:201611 - Halawanone D

ChEBI IDCHEBI:201611
ChEBI NameHalawanone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O7
Net Charge0
Average Mass398.411
Monoisotopic Mass398.13655
SMILESCCc1cc(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)cc2c1C(=O)c1c(O)cccc1C2=O
InChIInChI=1S/C22H22O7/c1-3-11-7-12(29-17-9-16(24)20(25)10(2)28-17)8-14-18(11)22(27)19-13(21(14)26)5-4-6-15(19)23/h4-8,10,16-17,20,23-25H,3,9H2,1-2H3/t10-,16-,17+,20-/m1/s1
InChIKeyXAPCBICNZSELEW-OKZQZZHASA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (9784158)
ChEBI Ontology
Outgoing Relation(s)
Halawanone D (CHEBI:201611) is a anthraquinone (CHEBI:22580)
IUPAC Name 
3-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-ethyl-8-hydroxyanthracene-9,10-dione
Manual XrefsDatabases
8676439ChemSpider