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CHEBI:213815 - Hirsutellone C

ChEBI IDCHEBI:213815
ChEBI NameHirsutellone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H31NO5
Net Charge0
Average Mass461.558
Monoisotopic Mass461.22022
SMILESC=C[C@H]1C=C[C@H]2[C@@H]3C[C@H](C)CC[C@H]3[C@@H]3Oc4ccc(cc4)C[C@]4(O)NC(=O)[C@]5(O[C@H]54)C(=O)[C@@H]1[C@H]23
InChIInChI=1S/C28H31NO5/c1-3-16-7-11-18-20-12-14(2)4-10-19(20)23-22(18)21(16)24(30)28-25(34-28)27(32,29-26(28)31)13-15-5-8-17(33-23)9-6-15/h3,5-9,11,14,16,18-23,25,32H,1,4,10,12-13H2,2H3,(H,29,31)/t14-,16+,18+,19-,20+,21+,22+,23+,25+,27-,28+/m1/s1
InChIKeyIACNHKNLBOBPTL-OQCXHUOZSA-N
Species of MetaboliteComponentSourceComments
Hirsutella (ncbitaxon:42367) - DOI (10.1016/j.tet.2005.03.099)
ChEBI Ontology
Outgoing Relation(s)
Hirsutellone C (CHEBI:213815) is a prostanoid (CHEBI:26347)
IUPAC Name 
(1R,3S,4S,7S,8S,10R,13R,14S,21R,22R,28S)-4-ethenyl-21-hydroxy-10-methyl-15,23-dioxa-25-azaheptacyclo[19.2.2.216,19.13,7.01,22.08,13.014,28]octacosa-5,16(27),17,19(26)-tetraene-2,24-dione
Manual XrefsDatabases
9583470ChemSpider