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Compounds

COMPOUND NPA006989

STRUCTURE

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PROPERTIES

NPAID	NPA006989
CLUSTER ID	46
NODE ID	11
NAME	PI-087
FORMULA	C49H58O18
MOLECULAR WEIGHT (Da)	934.9850
ACCURATE MASS (Da)	934.3623
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	matensis A-6621
InChIKey	UKWGAYLBMIKNLS-XURVNGJNSA-N
InChI	InChI=1S/C49H58O18/c1-22-30(50)9-13-37(60-22)64-33-11-15-38(62-24(33)3)65-34-12-16-40(63-25(34)4)67-47(6)20-36(53)49(58)42-29(17-18-48(49,57)21-47)44(55)41-28(45(42)56)8-7-27(43(41)54)35-19-32(52)46(26(5)59-35)66-39-14-10-31(51)23(2)61-39/h7-10,13-14,17-18,22-26,32-35,37-40,46,52,54,57-58H,11-12,15-16,19-21H2,1-6H3/t22-,23-,24-,25-,26+,32+,33-,34-,35+,37-,38-,39-,40-,46+,47-,48-,49-/m0/s1
SMILES	C[C@H]1[C@H](CC[C@@H](O1)O[C@]2(CC(=O)[C@@]3(C4=C(C=C[C@@]3(C2)O)C(=O)C5=C(C4=O)C=CC(=C5O)[C@H]6C[C@H]([C@@H]([C@H](O6)C)O[C@H]7C=CC(=O)[C@@H](O7)C)O)O)C)O[C@H]8CC[C@@H]([C@@H](O8)C)O[C@H]9C=CC(=O)[C@@H](O9)C

ORIGINAL ISOLATION REFERENCE

CITATION	Kawashima, A; Kishimura, Y; Tamai, M; Hanada, K New platelet aggregation inhibitors Chemical and Pharmaceutical Bulletin 1989 37 (12) 3429-3431.
DOI	10.1248/cpb.37.3429	PMID	2632093

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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