CHEBI:220656 - Paecilomycin H

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Paecilomycin H
ChEBI ID CHEBI:220656
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H30O6
Net Charge 0
Average Mass 390.476
Monoisotopic Mass 390.20424
InChI InChI=1S/C22H30O6/c1-14-8-7-11-19-18(27-22(2,3)28-19)10-6-5-9-15-12-16(25-4)13-17(23)20(15)21(24)26-14/h5,9,12-14,18-19,23H,6-8,10-11H2,1-4H3/b9-5+/t14-,18-,19-/m0/s1
InChIKey SDVPEAWQLMSJHY-UBGPCCROSA-N
SMILES O=C1O[C@H](CCC[C@@H]2OC(C)(C)O[C@H]2CCC=CC=3C1=C(O)C=C(OC)C3)C
Metabolite of Species Details
Clavicipitaceaespecies SC0924 (NCBI:txid1710628) See: PubMed
ChEBI Ontology
Outgoing Paecilomycin H (CHEBI:220656) is a macrolide (CHEBI:25106)
IUPAC Name
(2E,6S,10S,14S)-18-hydroxy-20-methoxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,18,20-tetraen-16-one
Manual Xref Database
78438746 ChemSpider
View more database links