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Compounds

COMPOUND NPA033528

STRUCTURE

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PROPERTIES

NPAID	NPA033528
CLUSTER ID	9638
NODE ID	6443
NAME	Palmerolide H
FORMULA	C36H52N2O10S
MOLECULAR WEIGHT (Da)	704.8830
ACCURATE MASS (Da)	704.3343
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Candidatus Synoicihabitans
ORIGIN SPECIES	palmerolidicus
InChIKey	VKRXGBUTDVKCIK-XTMPFRGYSA-N
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
SMILES	C=C(C)C/C(C)=C\C(=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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