CHEBI:216972 - Phomopsisin B

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ChEBI Name Phomopsisin B
ChEBI ID CHEBI:216972
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H33NO4
Net Charge 0
Average Mass 375.509
Monoisotopic Mass 375.24096
InChI InChI=1S/C22H33NO4/c1-12(2)11-16-18-13(3)19-20(27-19)15-10-9-14(24)7-5-4-6-8-17(25)22(15,18)21(26)23-16/h9-10,12-16,18-20,24H,4-8,11H2,1-3H3,(H,23,26)/b10-9+/t13-,14-,15-,16-,18-,19+,20-,22+/m0/s1
InChIKey IBXLQFRSYVWILH-JXXHLEBQSA-N
SMILES O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)[C@@H]4[C@H]([C@@H]3C=C[C@@H](O)CCCCC1)O4)CC(C)C
Metabolite of Species Details
Phomopsis (NCBI:txid34399) 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Phomopsisin B (CHEBI:216972) has role fungal metabolite (CHEBI:76946)
Phomopsisin B (CHEBI:216972) is a cytochalasin (CHEBI:23528)
IUPAC Name
(1R,8S,9E,11R,12S,14R,15S,16R,17S)-8-hydroxy-15-methyl-17-(2-methylpropyl)-13-oxa-18-azatetracyclo[9.8.0.01,16.012,14]nonadec-9-ene-2,19-dione