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CHEBI:200274 - Phomapyrrolidone C

ChEBI IDCHEBI:200274
ChEBI NamePhomapyrrolidone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H41NO5
Net Charge0
Average Mass543.704
Monoisotopic Mass543.29847
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)CC5(O)NC(=O)[C@@]6(O[C@H]56)C(=O)[C@@H]2[C@H]43)[C@H]1C
InChIInChI=1S/C34H41NO5/c1-15-11-16(2)23-22(12-15)24-19(5)26-18(4)17(3)13-32(26,6)27-25(24)28(23)39-21-9-7-20(8-10-21)14-33(38)30-34(40-30,29(27)36)31(37)35-33/h7-10,13,15-16,18,22-25,27-28,30,38H,11-12,14H2,1-6H3,(H,35,37)/t15-,16+,18-,22-,23-,24-,25+,27-,28-,30+,32-,33?,34+/m0/s1
InChIKeyNQFJAFJMOUIAAX-UGRKIXEPSA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - PubMed (24079882)
ChEBI Ontology
Outgoing Relation(s)
Phomapyrrolidone C (CHEBI:200274) is a prostanoid (CHEBI:26347)
IUPAC Name 
(1S,3R,4R,7S,10S,11R,13S,15R,16S,17S,25S,31R)-24-hydroxy-4,6,7,9,13,15-hexamethyl-18,26-dioxa-28-azaoctacyclo[22.2.2.219,22.13,10.01,25.04,8.011,16.017,31]hentriaconta-5,8,19(30),20,22(29)-pentaene-2,27-dione
Manual XrefsDatabases
78442505ChemSpider