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Compounds

COMPOUND NPA028526

STRUCTURE

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PROPERTIES

NPAID	NPA028526
CLUSTER ID	8523
NODE ID	5772
NAME	Merosterol B
FORMULA	C29H36Cl2O8
MOLECULAR WEIGHT (Da)	583.5050
ACCURATE MASS (Da)	582.1787
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Scytonema
ORIGIN SPECIES	sp. PCC 10023
InChIKey	IRLOALWUIBVXKM-RXMVPVJXSA-N
InChI	InChI=1S/C29H36Cl2O8/c1-25(12-36-4)7-6-8-28(24(34)37-5)22(25)20(31)23(33)27(3)17-9-14-19(15(30)10-16-21(14)39-13-38-16)26(17,2)18(32)11-29(27,28)35/h9-10,18,20,22-23,32-33,35H,6-8,11-13H2,1-5H3/t18-,20+,22-,23+,25-,26+,27+,28-,29+/m1/s1
SMILES	COC[C@@]1(C)CCC[C@]2(C(=O)OC)[C@@H]1[C@H](Cl)[C@H](O)[C@]1(C)C3=CC4=C5OCOC5=CC(Cl)=C4[C@]3(C)[C@H](O)C[C@]12O

ORIGINAL ISOLATION REFERENCE

CITATION	Moosmann P; Ueoka R; Grauso L; Mangoni A; Morinaka BI; Gugger M; Piel J Cyanobacterial ent-Sterol-Like Natural Products from a Deviated Ubiquinone Pathway. Angewandte Chemie International Edition 2017 56 (18) 4987-4990.
DOI	10.1002/anie.201611617	PMID	28370791

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Nostocales	LPSN	1161
Family	Scytonemataceae	LPSN	1182
Genus	Scytonema	LPSN	1203

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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