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Compounds

COMPOUND NPA029678

STRUCTURE

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PROPERTIES

NPAID	NPA029678
CLUSTER ID	8732
NODE ID	3236
NAME	Irijimaside B
FORMULA	C32H50O10
MOLECULAR WEIGHT (Da)	594.7420
ACCURATE MASS (Da)	594.3404
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Okeania
ORIGIN SPECIES	sp. ym-v-63 (LC437088)
InChIKey	RFFGHCDHXNDYHW-FZYCGIPPSA-N
InChI	InChI=1S/C32H50O10/c1-8-9-10-11-12-13-14-23-15-20(2)16-24(36-5)17-25-18-26(19-32(35,42-25)21(3)30(34)40-23)41-31-29(38-7)28(37-6)27(33)22(4)39-31/h8,11-14,16,21-29,31,33,35H,1,9-10,15,17-19H2,2-7H3/b12-11+,14-13+,20-16+/t21-,22+,23-,24-,25+,26-,27+,28-,29-,31+,32+/m1/s1
SMILES	C=CCC/C=C/C=C/[C@@H]1C/C(C)=C/[C@@H](OC)C[C@H]2C[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]3OC)C[C@](O)(O2)[C@H](C)C(=O)O1

ORIGINAL ISOLATION REFERENCE

CITATION	Iwasaki, Arihiro; Natsume, Noriyuki; Suenaga, Kiyotake; Sumimoto, Shimpei; Teruya, Toshiaki; Yamada, Miki; Yamano, Aki Irijimasides A-E, Macrolide Glycosides from an Okeania sp. Marine Cyanobacterium Journal of Natural Products 2020 83 (5) 1585-1591.
DOI	10.1021/acs.jnatprod.0c00042	PMID	32267694

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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