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Compounds

COMPOUND NPA035609

STRUCTURE

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PROPERTIES

NPAID	NPA035609
CLUSTER ID	8771
NODE ID	5919
NAME	Odookeanyne B
FORMULA	C42H71N5O6
MOLECULAR WEIGHT (Da)	742.0590
ACCURATE MASS (Da)	741.5404
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Okeania
ORIGIN SPECIES	sp.
InChIKey	UAMRYBRZVSISFN-JCQCKKQTSA-N
InChI	InChI=1S/C42H71N5O6/c1-13-16-17-18-19-20-23-31(9)38(49)43(10)35(28(4)5)40(51)45(12)37(30(8)14-2)42(53)47-27-22-25-33(47)39(50)44(11)36(29(6)7)41(52)46-26-21-24-32(46)34(48)15-3/h1,28-33,35-37H,14-27H2,2-12H3/t30-,31+,32-,33-,35-,36-,37-/m0/s1
SMILES	C#CCCCCCC[C@@H](C)C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)CC)C(C)C)[C@@H](C)CC)C(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Yamano, Aki; Asato, Yuka; Natsume, Noriyuki; Iwasaki, Arihiro; Suenaga, Kiyotake; Teruya, Toshiaki Odookeanynes A and B, Acetylene-Containing Lipopeptides from an Okeania sp. Marine Cyanobacterium. Journal of Natural Products 2022 85 (1) 169-175.
DOI	10.1021/acs.jnatprod.1c00915	PMID	34928625

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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