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Compounds

COMPOUND NPA003787

STRUCTURE

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PROPERTIES

NPAID	NPA003787
CLUSTER ID	46
NODE ID	11
NAME	PI-080
FORMULA	C55H68O20
MOLECULAR WEIGHT (Da)	1049.1290
ACCURATE MASS (Da)	1048.4304
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	matensis A-6621
InChIKey	QVMPJBSAFIVFSW-JUWVUZEXSA-N
InChI	InChI=1S/C55H68O20/c1-25-34(56)10-15-42(66-25)71-37-12-17-44(68-27(37)3)73-39-14-19-46(70-29(39)5)75-53(7)23-41(59)55(64)48-33(20-21-54(55,63)24-53)50(61)47-32(51(48)62)9-8-31(49(47)60)40-22-36(58)52(30(6)65-40)74-45-18-13-38(28(4)69-45)72-43-16-11-35(57)26(2)67-43/h8-11,15-16,20-21,25-30,36-40,42-46,52,58,60,63-64H,12-14,17-19,22-24H2,1-7H3/t25-,26-,27-,28-,29-,30+,36+,37-,38-,39-,40+,42-,43-,44-,45-,46-,52+,53-,54-,55-/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]7CC[C@@H]([C@@H](O7)C)O[C@H]8C=CC(=O)[C@@H](O8)C)O)O)C)O[C@H]9CC[C@@H]([C@@H](O9)C)O[C@H]1C=CC(=O)[C@@H](O1)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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