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CHEBI:218095 - Hirsutellone D

Default Structure
ChEBI IDCHEBI:218095
ChEBI NameHirsutellone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H33NO4
Net Charge0
Average Mass459.586
Monoisotopic Mass459.24096
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@@H]4C(=O)NC(=O)[C@H]4C(=O)[C@@H]1[C@H]23
InChIInChI=1S/C29H33NO4/c1-3-4-17-8-12-19-21-13-15(2)5-11-20(21)27-24(19)23(17)26(31)25-22(28(32)30-29(25)33)14-16-6-9-18(34-27)10-7-16/h3-4,6-10,12,15,17,19-25,27H,5,11,13-14H2,1-2H3,(H,30,32,33)/b4-3-/t15-,17+,19+,20-,21+,22+,23+,24+,25-,27+/m1/s1
InChIKeyQHZOVZGDOREFMP-USVFEKCESA-N
Species of MetaboliteComponentSourceComments
Hirsutella (ncbitaxon:42367) - DOI (10.1016/j.tet.2005.03.099)
ChEBI Ontology
Outgoing Relation(s)
Hirsutellone D (CHEBI:218095) is a prostanoid (CHEBI:26347)
IUPAC Name 
(3S,4R,7R,9S,10S,13S,14S,16R,20S,27S)-7-methyl-13-[(Z)-prop-1-enyl]-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
Manual XrefsDatabases
9377060ChemSpider