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Compounds

COMPOUND NPA001503

STRUCTURE

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PROPERTIES

NPAID	NPA001503
CLUSTER ID	981
NODE ID	845
NAME	Pteratide III
FORMULA	C45H66N6O8
MOLECULAR WEIGHT (Da)	819.0570
ACCURATE MASS (Da)	818.4942
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pterula
ORIGIN SPECIES	sp.
InChIKey	LADMLLPYHUPPPJ-IHDHTLQOSA-N
InChI	InChI=1S/C45H66N6O8/c1-26(2)24-34-42(55)50(12)37(29(7)8)45(58)59-30(9)38(51(13)41(54)32-22-18-15-19-23-32)44(57)48(10)33(25-31-20-16-14-17-21-31)39(52)46-35(27(3)4)40(53)47-36(28(5)6)43(56)49(34)11/h14-23,26-30,33-38H,24-25H2,1-13H3,(H,46,52)(H,47,53)/t30-,33+,34+,35+,36+,37+,38+/m1/s1
SMILES	C[C@@H]1[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)O1)C(C)C)C)CC(C)C)C)C(C)C)C(C)C)CC2=CC=CC=C2)C)N(C)C(=O)C3=CC=CC=C3

ORIGINAL ISOLATION REFERENCE

CITATION	Chen, Chien-Hui; Lang, Gerhard; Mitova, Maya I.; Murphy, Annabel C.; Cole, Anthony L. J.; Din, Laily B.; Blunt, John W.; Munro, Murray H. G. Pteratides I-IV, new cytotoxic cyclodepsipeptides from the Malaysian basidiomycete Pterula sp Journal of Organic Chemistry 2006 71 (21) 7947-7951.
DOI	10.1021/jo060843u	PMID	17025281

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Basidiomycota	MycoBank	5204
Class	Agaricomycetes	MycoBank	155619
Order	Agaricales	MycoBank	5338
Family	Pterulaceae	MycoBank	262632
Genus	Pterula	MycoBank	104239

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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