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Compounds

COMPOUND NPA028525

STRUCTURE

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PROPERTIES

NPAID	NPA028525
CLUSTER ID	8522
NODE ID	5772
NAME	Merosterol A
FORMULA	C28H32Cl2O8
MOLECULAR WEIGHT (Da)	567.4620
ACCURATE MASS (Da)	566.1474
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Scytonema
ORIGIN SPECIES	sp. PCC 10023
InChIKey	HBFUMXRTGQYCEA-SCJHGSEDSA-N
InChI	InChI=1S/C28H32Cl2O8/c1-24(10-35-4)16(30)5-6-27-21(24)20(38-23(27)33)22(32)26(3)15-7-12-18(13(29)8-14-19(12)37-11-36-14)25(15,2)17(31)9-28(26,27)34/h7-8,16-17,20-22,31-32,34H,5-6,9-11H2,1-4H3/t16-,17+,20+,21+,22-,24-,25-,26-,27+,28-/m0/s1
SMILES	COC[C@@]1(C)[C@@H](Cl)CC[C@]23C(=O)O[C@H]([C@H]12)[C@H](O)[C@]1(C)C2=CC4=C5OCOC5=CC(Cl)=C4[C@]2(C)[C@H](O)C[C@@]31O

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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