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CHEBI:216501 - 14-dehydrorubellin D

ChEBI IDCHEBI:216501
ChEBI Name14-dehydrorubellin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H20O10
Net Charge0
Average Mass540.480
Monoisotopic Mass540.10565
SMILESCc1cc(O)c2c(c1)[C@@H]([C@]13Cc4cc(O)c5c(c4[C@H]1C=CC(=O)[C@H]3O)C(=O)c1c(O)ccc(O)c1C5=O)OC2=O
InChIInChI=1S/C30H20O10/c1-10-6-12-20(17(34)7-10)29(39)40-28(12)30-9-11-8-18(35)23-24(19(11)13(30)2-3-16(33)27(30)38)26(37)22-15(32)5-4-14(31)21(22)25(23)36/h2-8,13,27-28,31-32,34-35,38H,9H2,1H3/t13-,27-,28+,30-/m1/s1
InChIKeyZWZYASXOHAGODF-UTSPDALJSA-N
Species of MetaboliteComponentSourceComments
Ramularia collo-cygni (ncbitaxon:112498) - PubMed (16780904)
ChEBI Ontology
Outgoing Relation(s)
14-dehydrorubellin D (CHEBI:216501) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(8aR,9S,12aR)-1,4,6,9-tetrahydroxy-8a-[(1S)-4-hydroxy-6-methyl-3-oxo-1H-2-benzouran-1-yl]-9,12a-dihydro-8H-indeno[1,2-a]anthracene-5,10,13-trione
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78438121ChemSpider