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Compounds

COMPOUND NPA024245

STRUCTURE

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PROPERTIES

NPAID	NPA024245
CLUSTER ID	57
NODE ID	53
NAME	Cytochalasin J2
FORMULA	C28H35NO3
MOLECULAR WEIGHT (Da)	433.5920
ACCURATE MASS (Da)	433.2617
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Phomopsis
ORIGIN SPECIES	sp. CMB-M0042F
InChIKey	CZABEFNJKKLRKT-ZCTQIHNESA-N
InChI	InChI=1S/C28H35NO3/c1-17-9-8-12-22-26(31)20(4)19(3)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)15-17/h5-8,10-15,17,19,22-26,30-31H,4,9,16H2,1-3H3,(H,29,32)/b12-8+,14-13+,18-15-/t17-,19+,22-,23-,24+,25-,26+,28+/m0/s1
SMILES	C[C@H]/1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](/C=C/C(=C1)/C)O)C(=O)N[C@H]3CC4=CC=CC=C4)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Shang, Zhuo; Raju, Ritesh; Salim, Angela A.; Khalil, Zeinab G.; Capon, Robert J. Cytochalasins from an Australian Marine Sediment-Derived Phomopsis sp. (CMB-M0042F): Acid-Mediated Intramolecular Cycloadditions Enhance Chemical Diversity Journal of Organic Chemistry 2017 82 (18) 9704-9709.
DOI	10.1021/acs.joc.7b01793	PMID	28831797

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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