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CHEBI:199692 - Rubellin F

ChEBI IDCHEBI:199692
ChEBI NameRubellin F
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FormulaC30H24O10
Net Charge0
Average Mass544.512
Monoisotopic Mass544.13695
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)c2cccc(O)c2C5=O)c1
InChIInChI=1S/C30H24O10/c1-11-7-14(22(29(39)40)18(33)8-11)27(37)30-10-12-9-19(34)23-24(20(12)15(30)5-6-17(32)28(30)38)25(35)13-3-2-4-16(31)21(13)26(23)36/h2-9,15,17,27-28,31-34,37-38H,10H2,1H3,(H,39,40)/t15-,17-,27+,28-,30+/m1/s1
InChIKeyXQLAAGXBBHMPDD-LXRBGTOHSA-N
Species of MetaboliteComponentSourceComments
Ramularia collo-cygni (ncbitaxon:112498) - PubMed (16780904)
ChEBI Ontology
Outgoing Relation(s)
Rubellin F (CHEBI:199692) is a anthraquinone (CHEBI:22580)
IUPAC Name 
2-[(S)-[(8aS,9S,10R,12aR)-4,6,9,10-tetrahydroxy-5,13-dioxo-8,9,10,12a-tetrahydroindeno[1,2-a]anthracen-8a-yl]-hydroxymethyl]-6-hydroxy-4-methylbenzoic acid
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