CHEBI:202342 - Pladienolide D

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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 Pladienolide D
ChEBI ID CHEBI:202342
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H48O9
Net Charge 0
Average Mass 552.705
Monoisotopic Mass 552.32983
InChI InChI=1S/C30H48O9/c1-8-23(33)20(4)28-24(38-28)17-29(6,35)14-9-10-18(2)27-19(3)11-12-25(37-21(5)31)30(7,36)15-13-22(32)16-26(34)39-27/h9-12,14,19-20,22-25,27-28,32-33,35-36H,8,13,15-17H2,1-7H3/b12-11+,14-9+,18-10+
InChIKey SDUSVHUQNWGNCQ-RRJBRJTHSA-N
SMILES O=C1OC(/C(=C/C=C/C(O)(CC2OC2C(C(O)CC)C)C)/C)C(C=CC(OC(=O)C)C(CCC(C1)O)(O)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Pladienolide D (CHEBI:202342) is a diterpene lactone (CHEBI:49193)
IUPAC Name
[(4E)-7,10-dihydroxy-2-[(2E,4E)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate
Manual Xref Database
8183377 ChemSpider
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