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CHEBI:204907 - Rubellin A

ChEBI IDCHEBI:204907
ChEBI NameRubellin A
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)[C@H]3OC2=O)C(=O)c1cccc(O)c1C5=O
InChIInChI=1S/C30H22O9/c1-11-7-14-22(18(33)8-11)29(38)39-28-17(32)6-5-15-20-12(10-30(15,28)27(14)37)9-19(34)23-24(20)25(35)13-3-2-4-16(31)21(13)26(23)36/h2-9,15,17,27-28,31-34,37H,10H2,1H3/t15-,17+,27+,28-,30+/m1/s1
InChIKeyMIKZOUDYDHOEBX-PXUZYFJJSA-N
Species of MetaboliteComponentSourceComments
Ramularia collo-cygni (ncbitaxon:112498) - DOI (10.1039/p19860000255)
ChEBI Ontology
Outgoing Relation(s)
Rubellin A (CHEBI:204907) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(1S,17R,20S,21S,30S)-5,9,20,25,30-pentahydroxy-27-methyl-22-oxaheptacyclo[15.13.0.01,21.03,16.06,15.08,13.024,29]triaconta-3,5,8(13),9,11,15,18,24(29),25,27-decaene-7,14,23-trione