CHEBI:219830 - Chaetoglobosin K

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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 Chaetoglobosin K
ChEBI ID CHEBI:219830
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H40N2O5
Net Charge 0
Average Mass 556.703
Monoisotopic Mass 556.29372
InChI InChI=1S/C34H40N2O5/c1-6-23-28-29(20(4)22-17-35-25-13-8-7-11-21(22)25)36-32(40)34(28)24(31-33(23,5)41-31)12-9-10-18(2)16-19(3)30(39)26(37)14-15-27(34)38/h7-9,11-18,20,23-24,28-31,35,39H,6,10H2,1-5H3,(H,36,40)/b12-9+,15-14+,19-16-/t18-,20-,23-,24-,28-,29-,30+,31-,33+,34+/m0/s1
InChIKey RSYKJHLWNMXRKZ-RVUXUPINSA-N
SMILES O=C1C=CC(=O)[C@H](O)C(=C[C@H](CC=C[C@@H]2[C@@]13C(=O)N[C@H]([C@@H]3[C@H](CC)[C@@]4([C@H]2O4)C)[C@H](C=5C6=C(C=CC=C6)NC5)C)C)C
Metabolite of Species Details
Diplodia (NCBI:txid66735) See: PubMed
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 Chaetoglobosin K (CHEBI:219830) has role fungal metabolite (CHEBI:76946)
Chaetoglobosin K (CHEBI:219830) is a cytochalasin (CHEBI:23528)
IUPAC Name
(1R,3E,6R,7Z,9S,11E,13R,14S,16R,17S,18R,19S)-17-ethyl-6-hydroxy-19-[(1S)-1-(1H-indol-3-yl)ethyl]-7,9,16-trimethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-triene-2,5,21-trione
Manual Xref Database
4944754 ChemSpider
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