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CHEBI:168192 - Rubroskyrin

ChEBI IDCHEBI:168192
ChEBI NameRubroskyrin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H22O12
Net Charge0
Average Mass574.494
Monoisotopic Mass574.11113
SMILESCC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C1C(O)C(C3=O)C23C(=O)c4c(O)c(C)cc(O)c4C(O)=C2C(=O)CC(O)C13
InChIInChI=1S/C30H22O12/c1-6-3-8(31)12-16(22(6)35)25(38)14-15-19-10(33)5-11(34)20-26(39)13-9(32)4-7(2)23(36)18(13)29(42)30(19,20)21(27(15)40)28(41)17(14)24(12)37/h3-4,10,15,19,21,27,32-33,36-40H,5H2,1-2H3
InChIKeyYYTIAXCFTFIIPI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Rubroskyrin (CHEBI:168192) is a anthraquinone (CHEBI:22580)
IUPAC Name 
5,8,10,14,18,25,28-heptahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4,6,8,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone
Manual XrefsDatabases
106403ChemSpider