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CHEBI:213832 - Hirsutellone E

ChEBI IDCHEBI:213832
ChEBI NameHirsutellone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H35NO4
Net Charge0
Average Mass461.602
Monoisotopic Mass461.25661
SMILESC/C=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)C[C@H](C(=O)N4)C(=O)[C@@H]1[C@H]23
InChIInChI=1S/C29H35NO4/c1-3-4-18-8-12-20-22-13-16(2)5-11-21(22)27-25(20)24(18)26(31)23-15-29(33,30-28(23)32)14-17-6-9-19(34-27)10-7-17/h3-4,6-10,12,16,18,20-25,27,33H,5,11,13-15H2,1-2H3,(H,30,32)/b4-3-/t16-,18+,20+,21-,22+,23+,24+,25+,27+,29-/m1/s1
InChIKeyBDMMASMTKZZIAT-FNUGVJIGSA-N
Species of MetaboliteComponentSourceComments
Hirsutella (ncbitaxon:42367) - DOI (10.1016/j.tet.2005.03.099)
ChEBI Ontology
Outgoing Relation(s)
Hirsutellone E (CHEBI:213832) is a prostanoid (CHEBI:26347)
IUPAC Name 
(3S,4R,7R,9S,10S,13S,14S,16S,19S,27S)-19-hydroxy-7-methyl-13-[(Z)-prop-1-enyl]-2-oxa-18-azahexacyclo[19.2.2.13,10.116,19.04,9.014,27]heptacosa-1(24),11,21(25),22-tetraene-15,17-dione
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78437499ChemSpider