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CHEBI:201182 - Ergoxanthin

ChEBI IDCHEBI:201182
ChEBI NameErgoxanthin
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FormulaC31H28O14
Net Charge0
Average Mass624.551
Monoisotopic Mass624.14791
SMILESCOC(=O)C1(C2OC(=O)CC2C)CC(=O)c2c(ccc(-c3ccc4c(c3O)C(=O)C3(O)C5CC(C)C(O)C3(O4)C(=O)O5)c2O)O1
InChIInChI=1S/C31H28O14/c1-11-8-18-30(40)25(37)21-17(45-31(30,24(11)36)28(39)42-18)7-5-14(23(21)35)13-4-6-16-20(22(13)34)15(32)10-29(44-16,27(38)41-3)26-12(2)9-19(33)43-26/h4-7,11-12,18,24,26,34-36,40H,8-10H2,1-3H3
InChIKeySWIZJORSFXSOLY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Ergoxanthin (CHEBI:201182) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl 5-hydroxy-2-(3-methyl-5-oxooxolan-2-yl)-4-oxo-6-(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)-3H-chromene-2-carboxylate
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