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CHEBI:191084 - Chrysomycin a

ChEBI IDCHEBI:191084
ChEBI NameChrysomycin a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28O9
Net Charge0
Average Mass508.523
Monoisotopic Mass508.17333
SMILES[H][C@@]1(c2ccc(O)c3c(OC)cc4c(oc(=O)c5cc(C=C)cc(OC)c54)c23)O[C@H](C)[C@H](O)[C@@](C)(O)[C@H]1O
InChIInChI=1S/C28H28O9/c1-6-13-9-16-20(18(10-13)34-4)15-11-19(35-5)22-17(29)8-7-14(21(22)23(15)37-27(16)32)24-26(31)28(3,33)25(30)12(2)36-24/h6-12,24-26,29-31,33H,1H2,2-5H3/t12-,24+,25+,26+,28-/m1/s1
InChIKeyOMDANBMKOUVKAG-WZNMFJNZSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
Streptomyces (ncbitaxon:1883) - PubMed (7142022)
ChEBI Ontology
Outgoing Relation(s)
Chrysomycin a (CHEBI:191084) is a glycoside (CHEBI:24400)
IUPAC Names 
8-ethenyl-1-hydroxy-10,12-dimethoxy-4-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl]naphtho[1,2-c]isochromen-6-one
8-ethenyl-1-hydroxy-10,12-dimethoxy-4-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl]naphtho[1,2-c]isochromen-6-one
Manual XrefsDatabases
66164ChemSpider
19980395ChemSpider
Registry NumbersSources
CAS:82196-88-1ChemIDplus