CHEBI:220530 - Pyrichalasin H

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ChEBI Name Pyrichalasin H
ChEBI ID CHEBI:220530
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H41NO6
Net Charge 0
Average Mass 523.670
Monoisotopic Mass 523.29339
InChI InChI=1S/C31H41NO6/c1-18-8-7-9-24-28(34)20(3)19(2)27-25(16-22-10-12-23(37-6)13-11-22)32-29(35)31(24,27)26(38-21(4)33)14-15-30(5,36)17-18/h7,9-15,18-19,24-28,34,36H,3,8,16-17H2,1-2,4-6H3,(H,32,35)/b9-7+,15-14+
InChIKey AECZOENDDUTONS-PWSPGYJUSA-N
SMILES O=C1NC(CC2=CC=C(OC)C=C2)C3C14C(OC(=O)C)C=CC(O)(CC(CC=CC4C(O)C(=C)C3C)C)C
Metabolite of Species Details
Pyricularia grisea (NCBI:txid148305) See: DOI
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
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ChEBI Ontology
Outgoing Pyrichalasin H (CHEBI:220530) has role fungal metabolite (CHEBI:76946)
Pyrichalasin H (CHEBI:220530) is a cytochalasin (CHEBI:23528)
IUPAC Name
[(3E,9E)-5,12-dihydroxy-16-[(4-methoxyphenyl)methyl]-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate
Manual Xref Database
4946854 ChemSpider
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