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Compounds

COMPOUND NPA014735

STRUCTURE

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PROPERTIES

NPAID	NPA014735
CLUSTER ID	26
NODE ID	25
NAME	Phomalide
FORMULA	C30H43N3O7
MOLECULAR WEIGHT (Da)	557.6880
ACCURATE MASS (Da)	557.3101
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Phoma
ORIGIN SPECIES	lingam
InChIKey	CFTIBXPRNRXQEG-TYHNAPLMSA-N
InChI	InChI=1S/C30H43N3O7/c1-8-21-29(37)40-24(16-20-12-10-9-11-13-20)30(38)39-23(15-18(4)5)27(35)32-22(14-17(2)3)26(34)33-25(19(6)7)28(36)31-21/h8-13,17-19,22-25H,14-16H2,1-7H3,(H,31,36)(H,32,35)(H,33,34)/b21-8+/t22-,23+,24+,25+/m1/s1
SMILES	C/C=C/1\C(=O)O[C@H](C(=O)O[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)C(C)C)CC(C)C)CC(C)C)CC2=CC=CC=C2

ORIGINAL ISOLATION REFERENCE

CITATION	Pedras, M. Soledade C.; Taylor, Janet L.; Nakashima, T. T. A Novel Chemical Signal from the "Blackleg" Fungus: Beyond Phytotoxins and Phytoalexins Journal of Organic Chemistry 1993 58 (18) 4778-4780.
DOI	10.1021/jo00070a002	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Dothideomycetes	MycoBank	147541
Order	Pleosporales	MycoBank	92860
Genus	Phoma	MycoBank	37463

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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