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CHEBI:203720 - Ergoflavin

ChEBI IDCHEBI:203720
ChEBI NameErgoflavin
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FormulaC30H26O14
Net Charge0
Average Mass610.524
Monoisotopic Mass610.13226
SMILESC[C@H]1C[C@@H]2OC(=O)[C@]3(Oc4ccc(-c5ccc6c(c5O)C(=O)[C@@]5(O)[C@@H]7C[C@H](C)[C@H](O)[C@@]5(O6)C(=O)O7)c(O)c4C(=O)[C@@]23O)[C@H]1O
InChIInChI=1S/C30H26O14/c1-9-7-15-27(39)23(35)17-13(43-29(27,21(9)33)25(37)41-15)5-3-11(19(17)31)12-4-6-14-18(20(12)32)24(36)28(40)16-8-10(2)22(34)30(28,44-14)26(38)42-16/h3-6,9-10,15-16,21-22,31-34,39-40H,7-8H2,1-2H3/t9-,10-,15-,16-,21-,22-,27-,28-,29+,30+/m0/s1
InChIKeyRAVDMGKYJQVXDU-JIGMLREDSA-N
Species of MetaboliteComponentSourceComments
Claviceps purpurea (ncbitaxon:5111) - DOI (10.1039/j29660000018)
ChEBI Ontology
Outgoing Relation(s)
Ergoflavin (CHEBI:203720) is a xanthones (CHEBI:51149)
IUPAC Name 
(1S,10R,11S,13S,14S)-7,10,14-trihydroxy-13-methyl-6-[(1S,10R,11S,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]-2,16-dioxatetracyclo[9.3.2.01,10.03,8]hexadeca-3(8),4,6-triene-9,15-dione
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16735796ChemSpider