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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-demethyl-3-(2-hydroxypropyl)-skyrin
ChEBI ID CHEBI:217804
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H22O11
Net Charge 0
Average Mass 582.517
Monoisotopic Mass 582.11621
InChI InChI=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
InChIKey NHRYUYZIVBLLQA-UHFFFAOYSA-N
SMILES O=C1C2=C(C(=O)C=3C1=C(O)C=C(CC(O)C)C3)C(C4=C5C(=O)C6=C(C(O)=CC(=C6)C)C(C5=C(O)C=C4O)=O)=C(O)C=C2O
Metabolite of Species Details
Talaromyces (NCBI:txid5094) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78435711 ChemSpider
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