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CHEBI:211164 - Usneaxanthone C

Default Structure
ChEBI IDCHEBI:211164
ChEBI NameUsneaxanthone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H30O13
Net Charge0
Average Mass610.568
Monoisotopic Mass610.16864
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]2O
InChIInChI=1S/C31H30O13/c1-11-9-15(32)20-23(35)14-5-4-6-17(33)29(14,27(38)41-3)44-24(20)19(11)13-7-8-16-21(22(13)34)26(37)30(40)18-10-12(2)25(36)31(30,43-16)28(39)42-18/h7-9,12,14,17-18,25,32-34,36,40H,4-6,10H2,1-3H3/t12-,14?,17+,18+,25-,29-,30-,31?/m1/s1
InChIKeyACKKUSQQTNKNJK-IIYUKLDQSA-N
Species of MetaboliteComponentSourceComments
Usnea aciculifera (ncbitaxon:142668) - PubMed (31175954)
ChEBI Ontology
Outgoing Relation(s)
Usneaxanthone C (CHEBI:211164) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl (4S,4aR)-4,8-dihydroxy-6-methyl-9-oxo-5-[(10S,11S,13R,14R)-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