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CHEBI:218296 - Caeruleoramularin

ChEBI IDCHEBI:218296
ChEBI NameCaeruleoramularin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H22O9
Net Charge0
Average Mass526.497
Monoisotopic Mass526.12638
SMILESCc1cc(O)c2c(c1)[C@H](O)[C@]13Cc4cc(O)c5c(O)c6c(cc5c4[C@H]1C=C[C@@H](O)[C@H]3OC2=O)C(=O)C=CC6=O
InChIInChI=1S/C30H22O9/c1-11-6-15-25(20(34)7-11)29(38)39-28-19(33)3-2-16-22-12(10-30(16,28)27(15)37)8-21(35)24-14(22)9-13-17(31)4-5-18(32)23(13)26(24)36/h2-9,16,19,27-28,33-37H,10H2,1H3/t16-,19-,27+,28-,30+/m1/s1
InChIKeyRSVFSMISAGENOT-IHHAGJFESA-N
Species of MetaboliteComponentSourceComments
Ramularia collo-cygni (ncbitaxon:112498) - PubMed (18605693)
ChEBI Ontology
Outgoing Relation(s)
Caeruleoramularin (CHEBI:218296) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(1S,17R,20R,21S,30S)-5,7,20,25,30-pentahydroxy-27-methyl-22-oxaheptacyclo[15.13.0.01,21.03,16.06,15.08,13.024,29]triaconta-3,5,7,10,13,15,18,24(29),25,27-decaene-9,12,23-trione