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Compounds

COMPOUND NPA033522

STRUCTURE

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PROPERTIES

NPAID	NPA033522
CLUSTER ID	9638
NODE ID	6443
NAME	Palmerolide B
FORMULA	C33H48N2O10S
MOLECULAR WEIGHT (Da)	664.8180
ACCURATE MASS (Da)	664.3030
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Candidatus Synoicihabitans
ORIGIN SPECIES	palmerolidicus
InChIKey	FAWDDZFFIALADY-MNQAKPFUSA-N
InChI	InChI=1S/C33H48N2O10S/c1-23(2)20-31(37)35-19-18-25(4)21-26(5)30-22-24(3)12-8-6-9-13-27(45-46(40,41)42)16-17-28(36)29(44-33(34)39)14-10-7-11-15-32(38)43-30/h6,8,11-12,15-21,26-30,36H,7,9-10,13-14,22H2,1-5H3,(H2,34,39)(H,35,37)(H,40,41,42)/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](OS(=O)(=O)O)/C=C\[C@@H](O)[C@@H](OC(N)=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.
DOI	10.3389/fchem.2021.802574	PMID	35004620

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Verrucomicrobia	LPSN	74201
Class	Opitutae	LPSN	414999
Order	Opitutales	LPSN	415000
Family	Opitutaceae	LPSN	134623
Genus	Candidatus Synoicihabitans	LPSN	-

CLASSYFIRE

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DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

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SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

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