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CHEBI:197801 - Penochalasin D

ChEBI IDCHEBI:197801
ChEBI NamePenochalasin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H37N3O3
Net Charge0
Average Mass511.666
Monoisotopic Mass511.28349
SMILESC/C1=C/[C@@H](C)C/C=C\[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3C(Cc4cnc5ccccc45)NC(=O)[C@]32C2=N[C@@H](CC2)C1=O
InChIInChI=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
InChIKeyUJPWZJUBKFMAST-MLAGUIKPSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/s0040-4020(01)00153-3)
ChEBI Ontology
Outgoing Relation(s)
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
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78436277ChemSpider