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Compounds

COMPOUND NPA001935

STRUCTURE

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PROPERTIES

NPAID	NPA001935
CLUSTER ID	797
NODE ID	691
NAME	Grassypeptolide B
FORMULA	C55H77N9O10S2
MOLECULAR WEIGHT (Da)	1088.4080
ACCURATE MASS (Da)	1087.5235
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Lyngbya
ORIGIN SPECIES	confervoides
InChIKey	NSQZLRCRDQWFOY-RIFKOKSMSA-N
InChI	InChI=1S/C55H77N9O10S2/c1-30(2)25-41-47(67)60-44(35(8)65)48(68)56-33(6)32(5)55(73)74-43(27-37-21-16-13-17-22-37)53(71)63(11)45(31(3)4)54(72)64-24-18-23-40(64)52(70)62(10)42(26-36-19-14-12-15-20-36)50-58-38(28-76-50)46(66)57-34(7)49-59-39(29-75-49)51(69)61(41)9/h12-17,19-22,30-35,38-45,65H,18,23-29H2,1-11H3,(H,56,68)(H,57,66)(H,60,67)/t32-,33-,34-,35-,38+,39+,40+,41-,42-,43+,44-,45+/m1/s1
SMILES	C[C@@H]1[C@H](NC(=O)[C@H](NC(=O)[C@H](N(C(=O)[C@@H]2CSC(=N2)[C@H](NC(=O)[C@@H]3CSC(=N3)[C@H](N(C(=O)[C@@H]4CCCN4C(=O)[C@@H](N(C(=O)[C@@H](OC1=O)CC5=CC=CC=C5)C)C(C)C)C)CC6=CC=CC=C6)C)C)CC(C)C)[C@@H](C)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Kwan, Jason C.; Ratnayake, Ranjala; Abboud, Khalil A.; Paul, Valerie J.; Luesch, Hendrik Grassypeptolides A-C, cytotoxic bis-thiazoline containing marine cyclodepsipeptides Journal of Organic Chemistry 2010 75 (23) 8012-8023.
DOI	10.1021/jo1013564	PMID	21047144

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Oscillatoriales	LPSN	1150
Family	Oscillatoriaceae	LPSN	1892254
Genus	Lyngbya	LPSN	28073

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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