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Compounds

COMPOUND NPA006425

STRUCTURE

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PROPERTIES

NPAID	NPA006425
CLUSTER ID	2996
NODE ID	2299
NAME	Herboxidiene
FORMULA	C25H42O6
MOLECULAR WEIGHT (Da)	438.6050
ACCURATE MASS (Da)	438.2981
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. A7847 (ATCC 49982)
InChIKey	ISZXEMUWHQLLTC-GZSUCXPKSA-N
InChI	InChI=1S/C25H42O6/c1-15(14-25(6)24(31-25)18(4)23(29-7)19(5)26)9-8-10-16(2)22-17(3)11-12-20(30-22)13-21(27)28/h8-10,15,17-20,22-24,26H,11-14H2,1-7H3,(H,27,28)/b9-8+,16-10+/t15?,17-,18?,19?,20?,22+,23?,24?,25?/m1/s1
SMILES	C[C@@H]1CCC(O[C@H]1/C(=C/C=C/C(C)CC2(C(O2)C(C)C(C(C)O)OC)C)/C)CC(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Isaac, Barbara G.; Ayer, Stephen W.; Elliott, Robert C.; Stonard, Richard J. Herboxidiene: A Potent Phytotoxic Polyketide from Streptomyces sp. A7847 Journal of Organic Chemistry 1992 57 (28) 7220-7226.
DOI	10.1021/jo00052a042	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptomycetales	LPSN	85011
Family	Streptomycetaceae	LPSN	2062
Genus	Streptomyces	LPSN	1883

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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