CHEBI:205532 - Paecilomycin E

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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 E
ChEBI ID CHEBI:205532
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H26O7
Net Charge 0
Average Mass 366.410
Monoisotopic Mass 366.16785
InChI InChI=1S/C19H26O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h4,6,9-11,14-15,18,20-23H,3,5,7-8H2,1-2H3/b6-4+/t11-,14-,15-,18+/m0/s1
InChIKey VBHMOJMVNMGQQV-YEVUHLGXSA-N
SMILES O=C1O[C@H](CCC[C@H](O)[C@@H](O)[C@H](CC=CC=2C1=C(O)C=C(OC)C2)O)C
Metabolite of Species Details
Clavicipitaceaespecies SC0924 (NCBI:txid1710628) See: PubMed
ChEBI Ontology
Outgoing Paecilomycin E (CHEBI:205532) is a macrolide (CHEBI:25106)
IUPAC Name
(4S,8S,9R,10S,12E)-8,9,10,18-tetrahydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one
Manual Xref Database
24668939 ChemSpider
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