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CHEBI:204867 - Uredinorubellin I

ChEBI IDCHEBI:204867
ChEBI NameUredinorubellin I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H22O10
Net Charge0
Average Mass542.496
Monoisotopic Mass542.12130
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)c1c(O)ccc(O)c1C5=O
InChIInChI=1S/C30H22O10/c1-10-6-12-20(16(33)7-10)28(39)30(40)18(35)5-2-13-19-11(9-29(13,30)27(12)38)8-17(34)23-24(19)26(37)22-15(32)4-3-14(31)21(22)25(23)36/h2-8,13,18,27,31-35,38,40H,9H2,1H3/t13-,18-,27+,29+,30?/m1/s1
InChIKeyGFXZZUIOUAYGTP-JHGAZYLISA-N
Species of MetaboliteComponentSourceComments
Ramularia collo-cygni (ncbitaxon:112498) - PubMed (18605693)
ChEBI Ontology
Outgoing Relation(s)
Uredinorubellin I (CHEBI:204867) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(1S,17R,20R,29S)-5,9,12,20,21,24,29-heptahydroxy-26-methylheptacyclo[15.12.0.01,21.03,16.06,15.08,13.023,28]nonacosa-3,5,8,10,12,15,18,23(28),24,26-decaene-7,14,22-trione
Manual XrefsDatabases
78437208ChemSpider