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CHEBI:203425 - Rubellin E

ChEBI IDCHEBI:203425
ChEBI NameRubellin E
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FormulaC30H24O11
Net Charge0
Average Mass560.511
Monoisotopic Mass560.13186
SMILESCc1cc(O)c(C(=O)O)c([C@H](O)[C@]23Cc4cc(O)c5c(c4[C@H]2C=C[C@@H](O)[C@H]3O)C(=O)c2c(O)ccc(O)c2C5=O)c1
InChIInChI=1S/C30H24O11/c1-10-6-12(20(29(40)41)17(34)7-10)27(38)30-9-11-8-18(35)23-24(19(11)13(30)2-3-16(33)28(30)39)26(37)22-15(32)5-4-14(31)21(22)25(23)36/h2-8,13,16,27-28,31-35,38-39H,9H2,1H3,(H,40,41)/t13-,16-,27+,28-,30+/m1/s1
InChIKeyGMHYAMBYOJNKBN-PJQIVZKYSA-N
Species of MetaboliteComponentSourceComments
Ramularia collo-cygni (ncbitaxon:112498) - PubMed (16780904)
ChEBI Ontology
Outgoing Relation(s)
Rubellin E (CHEBI:203425) is a anthraquinone (CHEBI:22580)
IUPAC Name 
2-[(S)-[(8aS,9S,10R,12aR)-1,4,6,9,10-pentahydroxy-5,13-dioxo-8,9,10,12a-tetrahydroindeno[1,2-a]anthracen-8a-yl]-hydroxymethyl]-6-hydroxy-4-methylbenzoic acid
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78437009ChemSpider