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CHEBI:204808 - Hirsutellone A

ChEBI IDCHEBI:204808
ChEBI NameHirsutellone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H31NO4
Net Charge0
Average Mass445.559
Monoisotopic Mass445.22531
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@@H]4C(=O)NC(=O)[C@H]4C(=O)[C@@H]1[C@H]23
InChIInChI=1S/C28H31NO4/c1-3-16-7-11-18-20-12-14(2)4-10-19(20)26-23(18)22(16)25(30)24-21(27(31)29-28(24)32)13-15-5-8-17(33-26)9-6-15/h3,5-9,11,14,16,18-24,26H,1,4,10,12-13H2,2H3,(H,29,31,32)/t14-,16+,18+,19-,20+,21+,22+,23+,24-,26+/m1/s1
InChIKeyZEHNBMLTLKOFTM-KGWAGKIFSA-N
Species of MetaboliteComponentSourceComments
Hirsutella (ncbitaxon:42367) - DOI (10.1016/j.tet.2005.03.099)
ChEBI Ontology
Outgoing Relation(s)
Hirsutellone A (CHEBI:204808) is a prostanoid (CHEBI:26347)
IUPAC Name 
(3S,4R,7R,9S,10S,13S,14S,16R,20S,27S)-13-ethenyl-7-methyl-2-oxa-18-azahexacyclo[20.2.2.13,10.04,9.016,20.014,27]heptacosa-1(25),11,22(26),23-tetraene-15,17,19-trione
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9714356ChemSpider