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CHEBI:211159 - Usneaxanthone B

ChEBI IDCHEBI:211159
ChEBI NameUsneaxanthone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H32O14
Net Charge0
Average Mass652.605
Monoisotopic Mass652.17921
SMILESCOC(=O)[C@@]12Oc3c(c(O)cc(C)c3-c3ccc4c(c3O)C(=O)[C@@]3(O)[C@H]5C[C@H](C)[C@H](O)C3(O4)C(=O)O5)C(=O)C1CCC[C@@H]2OC(C)=O
InChIInChI=1S/C33H32O14/c1-12-10-17(35)22-25(37)16-6-5-7-19(44-14(3)34)31(16,29(40)43-4)47-26(22)21(12)15-8-9-18-23(24(15)36)28(39)32(42)20-11-13(2)27(38)33(32,46-18)30(41)45-20/h8-10,13,16,19-20,27,35-36,38,42H,5-7,11H2,1-4H3/t13-,16?,19-,20+,27-,31+,32-,33?/m0/s1
InChIKeyUVLXEGBUPZVCOR-PAABDNHVSA-N
Species of MetaboliteComponentSourceComments
Usnea aciculifera (ncbitaxon:142668) - PubMed (31175954)
ChEBI Ontology
Outgoing Relation(s)
Usneaxanthone B (CHEBI:211159) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl (4S,4aR)-4-acetyloxy-8-hydroxy-6-methyl-9-oxo-5-[(10R,11R,13S,14S)-7,10,14-trihydroxy-13-methyl-9,15-dioxo-2,16-dioxatetracyclo[9.3.2.01,10.03,8]hexadeca-3(8),4,6-trien-6-yl]-2,3,4,9a-tetrahydro-1H-xanthene-4a-carboxylate