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CHEBI:221465 - Penidicitrinin A

ChEBI IDCHEBI:221465
ChEBI NamePenidicitrinin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O7
Net Charge0
Average Mass430.497
Monoisotopic Mass430.19915
SMILESCO[C@@]12O[C@H](C)[C@@H](C)C1=C(C)C(=O)[C@@H]1Cc3c(O)c4c(c(C)c3O[C@]12O)[C@H](C)[C@@H](C)O4
InChIInChI=1S/C24H30O7/c1-9-13(5)29-22-17(9)11(3)21-15(20(22)26)8-16-19(25)12(4)18-10(2)14(6)30-24(18,28-7)23(16,27)31-21/h9-10,13-14,16,26-27H,8H2,1-7H3/t9-,10-,13-,14-,16+,23-,24-/m1/s1
InChIKeyMMMJQXUMBAQZDZ-HVHBJWLESA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1002/hlca.201000051)
ChEBI Ontology
Outgoing Relation(s)
Penidicitrinin A (CHEBI:221465) is a xanthenes (CHEBI:38835)
IUPAC Name 
(3R,4R,6R,7S,11S,17R,18S)-3,14-dihydroxy-4-methoxy-6,7,9,17,18,20-hexamethyl-2,5,16-trioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(13),8,14,19-tetraen-10-one
Manual XrefsDatabases
28288145ChemSpider