CHEBI:219244 - Periconiasin D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Periconiasin D
ChEBI ID CHEBI:219244
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H33NO3
Net Charge 0
Average Mass 359.510
Monoisotopic Mass 359.24604
InChI InChI=1S/C22H33NO3/c1-11(2)6-16-18-13(4)12(3)7-14-9-20(5)17-8-15(26-20)10-21(17,25)22(14,18)19(24)23-16/h7,11,13-18,25H,6,8-10H2,1-5H3,(H,23,24)/t13-,14-,15?,16+,17-,18+,20-,21+,22-/m1/s1
InChIKey MWUDXCKYFLGDEF-PQWFSCETSA-N
SMILES O=C1N[C@@H](CC(C)C)[C@H]2[C@@]13[C@@]4(O)[C@H]5[C@@](OC(C4)C5)(C)C[C@H]3C=C(C)[C@H]2C
Metabolite of Species Details
Periconia (NCBI:txid97971) See: PubMed
ChEBI Ontology
Outgoing Periconiasin D (CHEBI:219244) is a naphthofuran (CHEBI:39270)
IUPAC Name
(1S,2S,5S,6R,7S,10S,12R,16S)-1-hydroxy-7,8,12-trimethyl-5-(2-methylpropyl)-13-oxa-4-azapentacyclo[12.2.1.02,6.02,10.012,16]heptadec-8-en-3-one
Manual Xref Database
78438697 ChemSpider
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