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CHEBI:222750 - Rubellin B

ChEBI IDCHEBI:222750
ChEBI NameRubellin B
Stars
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)[C@H]3OC2=O)C(=O)c1c(O)ccc(O)c1C5=O
InChIInChI=1S/C30H22O10/c1-10-6-12-20(17(34)7-10)29(39)40-28-16(33)3-2-13-19-11(9-30(13,28)27(12)38)8-18(35)23-24(19)26(37)22-15(32)5-4-14(31)21(22)25(23)36/h2-8,13,16,27-28,31-35,38H,9H2,1H3/t13-,16-,27+,28-,30+/m1/s1
InChIKeyKHJHNXVDMFGVEP-PJQIVZKYSA-N
Species of MetaboliteComponentSourceComments
Mycosphaerella rubella (ncbitaxon:179339) - DOI (10.1039/p19860000255)
ChEBI Ontology
Outgoing Relation(s)
Rubellin B (CHEBI:222750) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(1S,17R,20R,21S,30S)-5,9,12,20,25,30-hexahydroxy-27-methyl-22-oxaheptacyclo[15.13.0.01,21.03,16.06,15.08,13.024,29]triaconta-3,5,8,10,12,15,18,24(29),25,27-decaene-7,14,23-trione
Manual XrefsDatabases
52085317ChemSpider