CHEBI:225707 - [(2R,3R,4R,5R)-4-acetyloxy-5-(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy-2-(hydroxymethyl)oxolan-3-yl] acetate

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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 [(2R,3R,4R,5R)-4-acetyloxy-5-(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy-2-(hydroxymethyl)oxolan-3-yl] acetate
ChEBI ID CHEBI:225707
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H22O11
Net Charge 0
Average Mass 486.429
Monoisotopic Mass 486.11621
InChI InChI=1S/C24H22O11/c1-9-4-13-18(15(28)5-9)21(31)19-14(20(13)30)6-12(7-16(19)29)34-24-23(33-11(3)27)22(32-10(2)26)17(8-25)35-24/h4-7,17,22-25,28-29H,8H2,1-3H3/t17-,22-,23-,24+/m1/s1
InChIKey MJSVWJONQWKXJY-BMZZKGLRSA-N
SMILES O=C1C2=C(O)C=C(O[C@H]3O[C@H](CO)[C@H]([C@H]3OC(=O)C)OC(=O)C)C=C2C(=O)C=4C1=C(O)C=C(C)C4
Metabolite of Species Details
[Malbranchea circinata (NCBI:txid465702) See: PubMed
ChEBI Ontology
Outgoing [(2R,3R,4R,5R)-4-acetyloxy-5-(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy-2-(hydroxymethyl)oxolan-3-yl] acetate (CHEBI:225707) is a anthraquinone (CHEBI:22580)
IUPAC Name
[(2R,3R,4R,5R)-4-acetyloxy-5-(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy-2-(hydroxymethyl)oxolan-3-yl] acetate