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CHEBI:204729 - Perinadine A

ChEBI IDCHEBI:204729
ChEBI NamePerinadine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37NO7
Net Charge0
Average Mass499.604
Monoisotopic Mass499.25700
SMILESC/C=C/CCCCC(=O)C(C)C(=O)N1CC[C@H]2[C@@H]3O[C@H](C)[C@@H](C)c4c(C)c(O)c(C(=O)O)c(c43)O[C@H]21
InChIInChI=1S/C28H37NO7/c1-6-7-8-9-10-11-19(30)15(3)26(32)29-13-12-18-24-21-20(14(2)17(5)35-24)16(4)23(31)22(28(33)34)25(21)36-27(18)29/h6-7,14-15,17-18,24,27,31H,8-13H2,1-5H3,(H,33,34)/b7-6+/t14-,15?,17-,18+,24+,27-/m1/s1
InChIKeySUQZYGYUFVUJGV-DIPCPZNJSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (16146402)
ChEBI Ontology
Outgoing Relation(s)
Perinadine A (CHEBI:204729) is a benzenes (CHEBI:22712)
Perinadine A (CHEBI:204729) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(6S,7R,9S,10S,14R)-3-hydroxy-4,6,7-trimethyl-13-[(E)-2-methyl-3-oxodec-8-enoyl]-8,15-dioxa-13-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4-triene-2-carboxylic acid
Manual XrefsDatabases
9773280ChemSpider