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CHEBI:198013 - Halawanone C

ChEBI IDCHEBI:198013
ChEBI NameHalawanone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O7
Net Charge0
Average Mass384.384
Monoisotopic Mass384.12090
SMILESCc1cc(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)cc2c1C(=O)c1c(O)cccc1C2=O
InChIInChI=1S/C21H20O7/c1-9-6-11(28-16-8-15(23)19(24)10(2)27-16)7-13-17(9)21(26)18-12(20(13)25)4-3-5-14(18)22/h3-7,10,15-16,19,22-24H,8H2,1-2H3/t10-,15-,16+,19-/m1/s1
InChIKeyUMOJVSPPJLAURW-WEYDICRYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (9784158)
ChEBI Ontology
Outgoing Relation(s)
Halawanone C (CHEBI:198013) is a anthraquinone (CHEBI:22580)
IUPAC Name 
3-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-8-hydroxy-1-methylanthracene-9,10-dione
Manual XrefsDatabases
8914116ChemSpider