CHEBI:216356 - Penochalasin E

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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 E
ChEBI ID CHEBI:216356
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H38N2O5
Net Charge 0
Average Mass 530.665
Monoisotopic Mass 530.27807
InChI InChI=1S/C32H38N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,24,27-29,33,37H,8,12-13,15H2,1-4H3,(H,34,38)/b10-7-,18-14-/t17-,19-,22-,24?,27-,28-,29-,31+,32-/m0/s1
InChIKey NHUOPFQUMNXHQK-AZHONJPQSA-N
SMILES O=C1[C@]23C(=O)NC([C@@H]2[C@H](C)[C@@]4([C@H]([C@@H]3C=CC[C@H](C)C=C([C@@H](C(CC1)=O)O)C)O4)C)CC=5C6=C(C=CC=C6)NC5
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: DOI
ChEBI Ontology
Outgoing Penochalasin E (CHEBI:216356) is a indoles (CHEBI:24828)
IUPAC Name
(1S,6S,7Z,9S,11Z,13R,14S,16R,17S,18R)-6-hydroxy-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-7,11-diene-2,5,21-trione
Manual Xref Database
78438637 ChemSpider
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