CHEBI:223233 - Palmerolide H

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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 Palmerolide H
ChEBI ID CHEBI:223233
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H52N2O10S
Net Charge 0
Average Mass 704.880
Monoisotopic Mass 704.33427
InChI InChI=1S/C36H52N2O10S/c1-25(2)21-28(5)24-34(40)38-20-19-27(4)22-29(6)33-23-26(3)13-9-7-10-14-30(48-49(43,44)45)17-18-31(39)32(47-36(37)42)15-11-8-12-16-35(41)46-33/h7,9,12-13,16-20,22,24,29-33,39H,1,8,10-11,14-15,21,23H2,2-6H3,(H2,37,42)(H,38,40)(H,43,44,45)/b9-7+,16-12+,18-17-,20-19+,26-13+,27-22+,28-24-/t29-,30+,31-,32+,33-/m1/s1
InChIKey VKRXGBUTDVKCIK-XTMPFRGYSA-N
SMILES S(=O)(=O)(O[C@@H]1C=C[C@@H](O)[C@@H](OC(=O)N)CCCC=CC(=O)O[C@H](CC(=CC=CCC1)C)[C@@H](/C=C(/C=C/NC(=O)/C=C(\CC(=C)C)/C)\C)C)O
Metabolite of Species Details
Candidatus Synoicihabitans palmerolidicus (NCBI:txid2818510) See: PubMed
ChEBI Ontology
Outgoing Palmerolide H (CHEBI:223233) is a macrolide (CHEBI:25106)