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CHEBI:210102 - Pyrenosetin D

ChEBI IDCHEBI:210102
ChEBI NamePyrenosetin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H35NO6
Net Charge0
Average Mass445.556
Monoisotopic Mass445.24644
SMILESCC(=O)C[C@@H]1O[C@]2(O)[C@@H](CO)N(C)C(=O)[C@@]23C(=O)[C@@]2(C)[C@H](C(C)=C[C@H]4C[C@@H](C)CC[C@@H]42)[C@@H]13
InChIInChI=1S/C25H35NO6/c1-12-6-7-16-15(8-12)9-13(2)19-20-17(10-14(3)28)32-25(31)18(11-27)26(5)22(30)24(20,25)21(29)23(16,19)4/h9,12,15-20,27,31H,6-8,10-11H2,1-5H3/t12-,15+,16-,17-,18+,19+,20+,23+,24+,25+/m0/s1
InChIKeyVGSLZTMSEGAQSR-AOIDCAQBSA-N
Species of MetaboliteComponentSourceComments
Pyrenochaetopsis (ncbitaxon:798144) - PubMed (32466545)
ChEBI Ontology
Outgoing Relation(s)
Pyrenosetin D (CHEBI:210102) is a furopyrrole (CHEBI:64471)
IUPAC Name 
(1S,2R,3S,5S,6R,9S,11R,12S,15S,17R)-5-hydroxy-6-(hydroxymethyl)-7,11,15,19-tetramethyl-3-(2-oxopropyl)-4-oxa-7-azapentacyclo[9.8.0.02,9.05,9.012,17]nonadec-18-ene-8,10-dione
Manual XrefsDatabases
85696856ChemSpider