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Compounds

COMPOUND NPA002590

STRUCTURE

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PROPERTIES

NPAID	NPA002590
CLUSTER ID	57
NODE ID	53
NAME	Chaetoglobolsin-542
FORMULA	C34H42N2O4
MOLECULAR WEIGHT (Da)	542.7200
ACCURATE MASS (Da)	542.3145
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Phomopsis
ORIGIN SPECIES	asparagi
InChIKey	HLDZSBBZXQCNRA-CJZHOQCSSA-N
InChI	InChI=1S/C34H42N2O4/c1-6-24-20(3)17-23-11-9-10-19(2)16-21(4)32(39)28(37)14-15-29(38)34(23)30(24)31(36-33(34)40)22(5)26-18-35-27-13-8-7-12-25(26)27/h7-9,11-19,22-24,28,30-32,35,37,39H,6,10H2,1-5H3,(H,36,40)/b11-9+,15-14+,21-16+/t19-,22+,23-,24+,28-,30-,31-,32+,34+/m0/s1
SMILES	CC[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C/C[C@@H](/C=C(/[C@H]([C@H](/C=C/C3=O)O)O)\C)C)C=C1C)[C@H](C)C4=CNC5=CC=CC=C54

ORIGINAL ISOLATION REFERENCE

CITATION	Christian, Omar E.; Compton, Jennifer; Christian, Keisha R.; Mooberry, Susan L.; Valeriote, Fredrick A.; Crews, Phillip Using jasplakinolide to turn on pathways that enable the isolation of new chaetoglobosins from Phomospis asparagi Journal of Natural Products 2005 68 (11) 1592-1597.
DOI	10.1021/np050293f	PMID	16309305

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Genus	Phomopsis	MycoBank	34399

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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