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Compounds

COMPOUND NPA002342

STRUCTURE

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PROPERTIES

NPAID	NPA002342
CLUSTER ID	1406
NODE ID	1135
NAME	(+)-5(6),13-halimadiene-15-ol
FORMULA	C20H34O
MOLECULAR WEIGHT (Da)	290.4910
ACCURATE MASS (Da)	290.2610
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Mycobacterium
ORIGIN SPECIES	tuberculosis Rv3377c
InChIKey	VHFDWNJLUATPID-AHKHSGQUSA-N
InChI	InChI=1S/C20H34O/c1-15(11-14-21)10-13-20(5)16(2)8-9-17-18(20)7-6-12-19(17,3)4/h9,11,16,18,21H,6-8,10,12-14H2,1-5H3/b15-11+/t16-,18+,20+/m0/s1
SMILES	C[C@H]1CC=C2[C@H]([C@]1(C)CC/C(=C/CO)/C)CCCC2(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Nakano, Chiaki; Okamura, Tomoo; Sato, Tsutomu; Dairi, Tohru; Hoshino, Tsutomu Mycobacterium tuberculosis H37Rv3377c encodes the diterpene cyclase for producing the halimane skeleton Chemical Communications 2005 0 (8) 1016-1018.
DOI	10.1039/b415346d	PMID	15719101

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Corynebacteriales	LPSN	85007
Family	Mycobacteriaceae	LPSN	1762
Genus	Mycobacterium	LPSN	1763

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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