EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:201283 - Uredinorubellin II

ChEBI IDCHEBI:201283
ChEBI NameUredinorubellin II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H22O9
Net Charge0
Average Mass526.497
Monoisotopic Mass526.12638
SMILESCc1cc(O)c2c(c1)[C@H](O)[C@]13Cc4cc(O)c5c(c4[C@H]1C=C[C@@H](O)C3(O)C2=O)C(=O)c1cccc(O)c1C5=O
InChIInChI=1S/C30H22O9/c1-11-7-14-22(17(32)8-11)28(38)30(39)19(34)6-5-15-20-12(10-29(15,30)27(14)37)9-18(33)23-24(20)25(35)13-3-2-4-16(31)21(13)26(23)36/h2-9,15,19,27,31-34,37,39H,10H2,1H3/t15-,19-,27+,29+,30?/m1/s1
InChIKeyHBMRSLQYJBXZBW-XISTVOSQSA-N
Species of MetaboliteComponentSourceComments
Ramularia collo-cygni (ncbitaxon:112498) - PubMed (18605693)
ChEBI Ontology
Outgoing Relation(s)
Uredinorubellin II (CHEBI:201283) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(1S,17R,20R,29S)-5,9,20,21,24,29-hexahydroxy-26-methylheptacyclo[15.12.0.01,21.03,16.06,15.08,13.023,28]nonacosa-3,5,8(13),9,11,15,18,23(28),24,26-decaene-7,14,22-trione
Manual XrefsDatabases
78436745ChemSpider