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Compounds

COMPOUND NPA007944

STRUCTURE

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PROPERTIES

NPAID	NPA007944
CLUSTER ID	57
NODE ID	53
NAME	Neocytochalasin
FORMULA	C28H35NO3
MOLECULAR WEIGHT (Da)	433.5920
ACCURATE MASS (Da)	433.2617
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Daldinia
ORIGIN SPECIES	eschscholzii
InChIKey	XXCJVNMYGXUDBR-KAFGVYIRSA-N
InChI	InChI=1S/C28H35NO3/c1-17-9-8-12-22-15-19(3)20(4)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)26(17)31/h5-8,10-12,15,17-18,20,22-23,25H,9,13-14,16H2,1-4H3,(H,29,32)/b12-8+/t17-,18-,20+,22-,23-,25-,28+/m0/s1
SMILES	C[C@H]1CCC(=O)[C@]23[C@@H](/C=C/C[C@@H](C1=O)C)C=C([C@H]([C@H]2[C@@H](NC3=O)CC4=CC=CC=C4)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Zhang, Ying L.; Zhang, Jie; Jiang, Nan; Lu, Yan H.; Wang, Lu; Xu, Su H.; Wang, Wei; Zhang, Gao F.; Xu, Qiang; Ge, Hui M.; Ma, Jing; Song, Yong C.; Tan, Ren X. Immunosuppressive polyketides from mantis-associated Daldinia eschscholzii Journal of the American Chemical Society 2011 133 (15) 5931-5940.
DOI	10.1021/ja110932p	PMID	21434637

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Xylariales	MycoBank	37989
Family	Hypoxylaceae	MycoBank	2033035
Genus	Daldinia	MycoBank	42360

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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