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Compounds

COMPOUND NPA016670

STRUCTURE

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PROPERTIES

NPAID	NPA016670
CLUSTER ID	1115
NODE ID	956
NAME	Aurantinin B
FORMULA	C44H60O12
MOLECULAR WEIGHT (Da)	780.9520
ACCURATE MASS (Da)	780.4085
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Bacillus
ORIGIN SPECIES	aurantinus
InChIKey	MPPYMLNQFAPEHU-WICFQGSQSA-N
InChI	InChI=1S/C44H60O12/c1-20(16-21(2)17-32(45)26(7)41(50)51)12-10-9-11-13-28-23(4)18-31-29(15-14-22(3)40(31)55-44-39(49)38(48)37(47)27(8)54-44)36-35(28)34-25(6)33(46)19-30(34)24(5)42(52)56-43(36)53/h9-13,18,21-22,25-29,31-33,36-37,39-40,44-47,49H,14-17,19H2,1-8H3,(H,50,51)/b10-9+,13-11+,20-12+,30-24-,35-34-/t21?,22?,25?,26?,27-,28?,29?,31?,32?,33?,36?,37-,39-,40?,44+/m0/s1
SMILES	C[C@H]1[C@@H](C(=O)[C@@H]([C@H](O1)OC2C(CCC3C2C=C(C(/C/4=C/5\C(C(C\C5=C(\C(=O)OC(=O)C34)/C)O)C)/C=C/C=C/C=C(\C)/CC(C)CC(C(C)C(=O)O)O)C)C)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Nakagawa, Akira; Konda, Yaeko; Hatano, Akiko; Harigaya, Yoshihiro; Onda, Masayuki; Omura, Satoshi Structure and Biosynthesis of Novel Antibiotics, Aurantinins A and B Produced by Bacillus aurantinus Journal of Organic Chemistry 1988 53 (11) 2660-2661.
DOI	10.1021/jo00246a059	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Firmicutes	LPSN	1239
Class	Bacilli	LPSN	91061
Order	Bacillales	LPSN	1385
Family	Bacillaceae	LPSN	186817
Genus	Bacillus	LPSN	1386

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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