CHEBI:197801 - Penochalasin 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 Penochalasin D
ChEBI ID CHEBI:197801
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H37N3O3
Net Charge 0
Average Mass 511.666
Monoisotopic Mass 511.28349
InChI InChI=1S/C32H37N3O3/c1-17-8-7-10-22-29-31(4,38-29)19(3)27-25(15-20-16-33-23-11-6-5-9-21(20)23)35-30(37)32(22,27)26-13-12-24(34-26)28(36)18(2)14-17/h5-7,9-11,14,16-17,19,22,24-25,27,29,33H,8,12-13,15H2,1-4H3,(H,35,37)/b10-7-,18-14-/t17-,19-,22-,24-,25?,27-,29-,31+,32+/m0/s1
InChIKey UJPWZJUBKFMAST-MLAGUIKPSA-N
SMILES O=C1C(=C[C@H](CC=C[C@@H]2[C@]3(C4=N[C@H]1CC4)C(=O)NC([C@@H]3[C@H](C)[C@@]5([C@H]2O5)C)CC=6C7=C(C=CC=C7)NC6)C)C
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: DOI
ChEBI Ontology
Outgoing Penochalasin D (CHEBI:197801) is a indoles (CHEBI:24828)
IUPAC Name
(2R,6R,7S,8R,10S,11R,12Z,15S,16Z,19S)-5-(1H-indol-3-ylmethyl)-7,8,15,17-tetramethyl-9-oxa-4,22-diazapentacyclo[17.2.1.02,6.02,11.08,10]docosa-1(22),12,16-triene-3,18-dione
Manual Xref Database
78436277 ChemSpider
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