EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:207733 - 1-epi-citrinin H1

ChEBI IDCHEBI:207733
ChEBI Name1-epi-citrinin H1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O7
Net Charge0
Average Mass426.465
Monoisotopic Mass426.16785
SMILESCC1=C([C@H](C)[C@@H](C)OC=O)C(=O)C2=C(C1=O)[C@H]1O[C@H](C)[C@@H](C)c3c(C)c(O)cc(c31)O2
InChIInChI=1S/C24H26O7/c1-9(13(5)29-8-25)18-12(4)21(27)20-23-19-16(31-24(20)22(18)28)7-15(26)11(3)17(19)10(2)14(6)30-23/h7-10,13-14,23,26H,1-6H3/t9-,10-,13-,14-,23+/m1/s1
InChIKeyDPWQFCNWSJVFTQ-JCCUDNOASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30634700)
ChEBI Ontology
Outgoing Relation(s)
1-epi-citrinin H1 (CHEBI:207733) is a xanthenes (CHEBI:38835)
IUPAC Name 
[(2R,3S)-3-[(1S,14S,15R)-11-hydroxy-4,12,14,15-tetramethyl-3,6-dioxo-8,16-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),4,9(17),10,12-pentaen-5-yl]butan-2-yl] ormate
Manual XrefsDatabases
71115945ChemSpider