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CHEBI:229113 - Ergochrysin

ChEBI IDCHEBI:229113
ChEBI NameErgochrysin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H28O14
Net Charge0
Average Mass624.551
Monoisotopic Mass624.14791
SMILES[H][C@@]12CC(C)C(O)[C@]3(Oc4ccc(-c5ccc6c(c5O)C(O)=C5C(=O)CC(C)C(O)[C@]5(C(=O)OC)O6)c(O)c4C(=O)C13O)C(=O)O2
InChIInChI=1S/C31H28O14/c1-10-8-14(32)20-23(35)18-15(44-29(20,24(10)36)27(39)42-3)6-4-12(21(18)33)13-5-7-16-19(22(13)34)26(38)30(41)17-9-11(2)25(37)31(30,45-16)28(40)43-17/h4-7,10-11,17,24-25,33-37,41H,8-9H2,1-3H3/t10?,11?,17-,24?,25?,29-,30?,31+/m1/s1
InChIKeyVXKIQYSBKFCDST-CEYQARKTSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Ergochrysin (CHEBI:229113) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl (4aR)-4,8,9-trihydroxy-3-methyl-1-oxo-7-[(1R,11R)-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]-3,4-dihydro-2H-xanthene-4a-carboxylate