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CHEBI:200569 - Rugulin

ChEBI IDCHEBI:200569
ChEBI NameRugulin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H24O10
Net Charge0
Average Mass568.534
Monoisotopic Mass568.13695
SMILESCOC1C2C3C(OC)[C@@H]4C(=O)C56C(=O)c7c(O)cc(C)cc7C(=O)[C@]35[C@H]1C(=O)C61C(=O)c3c(O)cc(C)cc3C(=O)[C@@]241
InChIInChI=1S/C32H24O10/c1-9-5-11-15(13(33)7-9)25(37)31-28(40)20-21(41-3)17-18-22(42-4)19(29(17,31)23(11)35)27(39)32(31)26(38)16-12(24(36)30(18,20)32)6-10(2)8-14(16)34/h5-8,17-22,33-34H,1-4H3/t17?,18?,19-,20-,21?,22?,29-,30-,31?,32?/m1/s1
InChIKeyROBRFZABRZCKHN-MJEJLTFTSA-N
Species of MetaboliteComponentSourceComments
Talaromyces rugulosus (ncbitaxon:121627) - DOI (10.1007/bf02876598)
ChEBI Ontology
Outgoing Relation(s)
Rugulin (CHEBI:200569) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(1R,2S,13R,17S)-8,23-dihydroxy-14,28-dimethoxy-6,21-dimethylnonacyclo[14.11.1.02,11.02,15.04,9.011,26.013,17.017,26.019,24]octacosa-4(9),5,7,19(24),20,22-hexaene-3,10,12,18,25,27-hexone
Manual XrefsDatabases
78445461ChemSpider