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Compounds

COMPOUND NPA021978

STRUCTURE

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PROPERTIES

NPAID	NPA021978
CLUSTER ID	6798
NODE ID	4703
NAME	Janadolide
FORMULA	C37H63N5O7
MOLECULAR WEIGHT (Da)	689.9390
ACCURATE MASS (Da)	689.4727
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Okeania
ORIGIN SPECIES	sp.
InChIKey	XXTPBUDGINBRRD-IQFPJXEBSA-N
InChI	InChI=1S/C37H63N5O7/c1-22(2)19-28-36(48)49-29(37(8,9)10)20-24(5)15-13-16-25(6)34(46)42-18-14-17-27(42)32(44)39-31(23(3)4)33(45)38-21-30(43)40(11)26(7)35(47)41(28)12/h20,22-23,25-29,31H,13-19,21H2,1-12H3,(H,38,45)(H,39,44)/b24-20+/t25-,26+,27+,28+,29+,31+/m1/s1
SMILES	C[C@@H]1CCC/C(=C/[C@H](OC(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)CNC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C1=O)C(C)C)C)C)C)CC(C)C)C(C)(C)C)/C

ORIGINAL ISOLATION REFERENCE

CITATION	Ogawa, Hidetoshi; Iwasaki, Arihiro; Sumimoto, Shinpei; Kanamori, Yuki; Ohno, Osamu; Iwatsuki, Masato; Ishiyama, Aki; Hokari, Rei; Otoguro, Kazuhiko; Omura, Satoshi; Suenaga, Kiyotake Janadolide, a Cyclic Polyketide-Peptide Hybrid Possessing a tert-Butyl Group from an Okeania sp. Marine Cyanobacterium Journal of Natural Products 2016 79 (7) 1862-1866.
DOI	10.1021/acs.jnatprod.6b00171	PMID	27359053

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Oscillatoriales	LPSN	1150
Family	Oscillatoriaceae	LPSN	1892254
Genus	Okeania	LPSN	1458928

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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