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CHEBI:217976 - Phomapyrrolidone A

ChEBI IDCHEBI:217976
ChEBI NamePhomapyrrolidone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H41NO4
Net Charge0
Average Mass527.705
Monoisotopic Mass527.30356
SMILESCC1=C[C@@]2(C)C(=C(C)[C@H]3[C@H]4C[C@@H](C)C[C@@H](C)[C@@H]4[C@@H]4Oc5ccc(cc5)C[C@@H]5C(=O)NC(=O)[C@H]5C(=O)[C@H]2[C@H]43)[C@H]1C
InChIInChI=1S/C34H41NO4/c1-15-11-16(2)24-22(12-15)25-19(5)28-18(4)17(3)14-34(28,6)29-27(25)31(24)39-21-9-7-20(8-10-21)13-23-26(30(29)36)33(38)35-32(23)37/h7-10,14-16,18,22-27,29,31H,11-13H2,1-6H3,(H,35,37,38)/t15-,16+,18-,22-,23-,24-,25-,26+,27+,29+,31-,34-/m0/s1
InChIKeyUKJXAQYJWFBJPH-RUEKRIFFSA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - PubMed (24079882)
ChEBI Ontology
Outgoing Relation(s)
Phomapyrrolidone A (CHEBI:217976) is a prostanoid (CHEBI:26347)
IUPAC Name 
(3S,4S,5R,7S,9R,10S,13S,16R,17S,19R,23S,30R)-5,7,11,13,14,16-hexamethyl-2-oxa-21-azaheptacyclo[23.2.2.13,10.04,9.012,16.019,23.017,30]triaconta-1(28),11,14,25(29),26-pentaene-18,20,22-trione
Manual XrefsDatabases
30833447ChemSpider