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Compounds

COMPOUND NPA006920

STRUCTURE

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PROPERTIES

NPAID	NPA006920
CLUSTER ID	298
NODE ID	270
NAME	Neomaclafungin I
FORMULA	C46H80O10
MOLECULAR WEIGHT (Da)	793.1360
ACCURATE MASS (Da)	792.5751
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Actinoalloteichus
ORIGIN SPECIES	sp. NPS702
InChIKey	QLIMWTMFHLCREQ-HLUAZDPASA-N
InChI	InChI=1S/C46H80O10/c1-9-11-14-18-37-41-22-21-35(10-2)17-15-12-13-16-19-38(48)33(6)39(49)27-36(53-8)28-40(50)34(7)45(52)31(4)20-23-44(51)54-43(37)29-46(55-41)25-24-30(3)42(56-46)26-32(5)47/h12-13,15,17,20,23,30-43,45,47-50,52H,9-11,14,16,18-19,21-22,24-29H2,1-8H3/t30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40+,41-,42-,43-,45+,46-/m0/s1
SMILES	CCCCC[C@@H]1[C@@H]2CC[C@H](C=CC=CCC[C@H]([C@H]([C@H](C[C@H](C[C@H]([C@@H]([C@@H]([C@H](C=CC(=O)O[C@H]1C[C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)O)C)O)OC)O)C)O)CC

ORIGINAL ISOLATION REFERENCE

CITATION	Sato, Seizo; Iwata, Fumie; Yamada, Shoichi; Katayama, Masashi Neomaclafungins A-I: Oligomycin-class macrolides from a marine-derived actinomycete Journal of Natural Products 2012 75 (11) 1974-1982.
DOI	10.1021/np300719g	PMID	23102410

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Pseudonocardiales	LPSN	85010
Family	Pseudonocardiaceae	LPSN	2070
Genus	Actinoalloteichus	LPSN	65496

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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