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Compounds

COMPOUND NPA000345

STRUCTURE

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PROPERTIES

NPAID	NPA000345
CLUSTER ID	57
NODE ID	53
NAME	Phomacin A
FORMULA	C25H37NO5
MOLECULAR WEIGHT (Da)	431.5730
ACCURATE MASS (Da)	431.2672
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Phoma
ORIGIN SPECIES	sp.
InChIKey	CTCWWHNYPVOMQP-XEJAYVSFSA-N
InChI	InChI=1S/C25H37NO5/c1-13(2)9-19-22-17(6)15(4)12-18-11-14(3)10-16(5)23(29)20(27)7-8-21(28)31-25(18,22)24(30)26-19/h7-8,11-13,16-20,22-23,27,29H,9-10H2,1-6H3,(H,26,30)/b8-7-,14-11-/t16-,17+,18-,19-,20+,22-,23-,25-/m0/s1
SMILES	C[C@H]1C/C(=C\[C@H]2C=C([C@H]([C@@H]3[C@@]2(C(=O)N[C@H]3CC(C)C)OC(=O)/C=C\[C@H]([C@H]1O)O)C)C)/C

ORIGINAL ISOLATION REFERENCE

CITATION	Alvi, Khisal A.; Nair, Bipin; Pu, Henry; Ursino, Rocky; Gallo, Cathy; Mocek, Ursula Phomacins: Three Novel Antitumor Cytochalasan Constituents Produced by a Phomasp Journal of Organic Chemistry 1997 62 (7) 2148-2151.
DOI	10.1021/jo962321s	PMID	11671521

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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