Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA033521
PROPERTIES
NPAID | NPA033521 |
---|---|
CLUSTER ID | 9668 |
NODE ID | 6472 |
NAME | Palmerolide A |
FORMULA | C33H48N2O7 |
MOLECULAR WEIGHT (Da) | 584.7540 |
ACCURATE MASS (Da) | 584.3462 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Candidatus Synoicihabitans |
ORIGIN SPECIES | palmerolidicus |
InChIKey | HEOKDDVDVGNHMR-DAUCKHFQSA-N |
InChI | InChI=1S/C33H48N2O7/c1-23(2)20-31(38)35-19-18-25(4)21-26(5)30-22-24(3)12-8-6-10-14-29(42-33(34)40)28(37)17-16-27(36)13-9-7-11-15-32(39)41-30/h6,8,11-12,15-21,26-30,36-37H,7,9-10,13-14,22H2,1-5H3,(H2,34,40)(H,35,38)/b8-6+,15-11+,17-16+,19-18+,24-12+,25-21+/t26-,27+,28+,29+,30-/m1/s1 |
SMILES | CC(C)=CC(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C/[C@@H](O)CCC/C=C/C(=O)O1 |
ORIGINAL ISOLATION REFERENCE
CITATION | Avalon, Nicole E.; Murray, Alison E.; Daligault, Hajnalka E.; Lo, Chien-Chi; Davenport, Karen W.; Dichosa, Armand E. K.; Chain, Patrick S. G.; Baker, Bill J. Bioinformatic and Mechanistic Analysis of the Palmerolide PKS-NRPS Biosynthetic Pathway From the Microbiome of an Antarctic Ascidian Frontiers in Chemistry 2021 9 802574. | ||
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DOI | 10.3389/fchem.2021.802574 | PMID | 35004620 |