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CHEBI:217804 - 3-demethyl-3-(2-hydroxypropyl)-skyrin

ChEBI IDCHEBI:217804
ChEBI Name3-demethyl-3-(2-hydroxypropyl)-skyrin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H22O11
Net Charge0
Average Mass582.517
Monoisotopic Mass582.11621
SMILESCc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(CC(C)O)cc(O)c1C3=O)C2=O
InChIInChI=1S/C32H22O11/c1-10-3-13-21(15(34)4-10)31(42)25-19(38)8-17(36)23(27(25)29(13)40)24-18(37)9-20(39)26-28(24)30(41)14-6-12(5-11(2)33)7-16(35)22(14)32(26)43/h3-4,6-9,11,33-39H,5H2,1-2H3
InChIKeyNHRYUYZIVBLLQA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - PubMed (26815015)
ChEBI Ontology
Outgoing Relation(s)
3-demethyl-3-(2-hydroxypropyl)-skyrin (CHEBI:217804) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
2,4,5-trihydroxy-7-methyl-1-[2,4,5-trihydroxy-7-(2-hydroxypropyl)-9,10-dioxoanthracen-1-yl]anthracene-9,10-dione
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78435711ChemSpider