CHEBI:220663 - Paecilomycin I

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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 Paecilomycin I
ChEBI ID CHEBI:220663
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H28O6
Net Charge 0
Average Mass 376.449
Monoisotopic Mass 376.18859
InChI InChI=1S/C21H28O6/c1-13-7-6-10-18-17(26-21(2,3)27-18)9-5-4-8-14-11-15(22)12-16(23)19(14)20(24)25-13/h4,8,11-13,17-18,22-23H,5-7,9-10H2,1-3H3/b8-4+/t13-,17-,18-/m0/s1
InChIKey YQBDPTQRQMXVTH-ODZQMJLQSA-N
SMILES O=C1O[C@H](CCC[C@@H]2OC(C)(C)O[C@H]2CCC=CC=3C1=C(O)C=C(O)C3)C
Metabolite of Species Details
Clavicipitaceaespecies SC0924 (NCBI:txid1710628) See: PubMed
ChEBI Ontology
Outgoing Paecilomycin I (CHEBI:220663) is a macrolide (CHEBI:25106)
IUPAC Name
(2E,6S,10S,14S)-18,20-dihydroxy-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
78438747 ChemSpider
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