CHEBI:209563 - Ustilanthracin B

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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 Ustilanthracin B
ChEBI ID CHEBI:209563
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H24O9
Net Charge 0
Average Mass 480.469
Monoisotopic Mass 480.14203
InChI InChI=1S/C26H24O9/c1-5-6-7-8-17(27)14-9-15-19(12(3)21(14)28)22(29)16-10-18(35-13(4)11(2)26(33)34)24(31)25(32)20(16)23(15)30/h5-11,13,28,31-32H,1-4H3,(H,33,34)/b6-5+,8-7+/t11-,13+/m1/s1
InChIKey PUQMFFQRZFQNRG-SZFAFXMGSA-N
SMILES O=C1C2=C(O)C(O)=C(O[C@H]([C@H](C(=O)O)C)C)C=C2C(=O)C3=C1C=C(C(=O)/C=C/C=C/C)C(=C3C)O
Metabolite of Species Details
Ustilaginoidea virens (NCBI:txid1159556) See: PubMed
ChEBI Ontology
Outgoing Ustilanthracin B (CHEBI:209563) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name
(2R,3S)-3-[6-[(2E,4E)-hexa-2,4-dienoyl]-3,4,7-trihydroxy-8-methyl-9,10-dioxoanthracen-2-yl]oxy-2-methylbutanoic acid