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Compounds

COMPOUND NPA003525

STRUCTURE

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PROPERTIES

NPAID	NPA003525
CLUSTER ID	57
NODE ID	53
NAME	(11)-cytochalasa-13,19-diene-1,21-dione-6,7-epoxy-18-hydroxy-16,18-dimethyl-10-phenyl-(7S,13E,16S,18S*,19E)
FORMULA	C28H35NO4
MOLECULAR WEIGHT (Da)	449.5910
ACCURATE MASS (Da)	449.2566
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Daldinia
ORIGIN SPECIES	sp.
InChIKey	KXNFBGDAEQKYHQ-VISZISFZSA-N
InChI	InChI=1S/C28H35NO4/c1-17-9-8-12-20-24-27(4,33-24)18(2)23-21(15-19-10-6-5-7-11-19)29-25(31)28(20,23)22(30)13-14-26(3,32)16-17/h5-8,10-14,17-18,20-21,23-24,32H,9,15-16H2,1-4H3,(H,29,31)/b12-8+,14-13+/t17-,18-,20-,21-,23-,24-,26+,27+,28+/m1/s1
SMILES	C[C@@H]1C/C=C/[C@@H]2[C@@H]3[C@@](O3)([C@@H]([C@H]4[C@]2(C(=O)/C=C/[C@](C1)(C)O)C(=O)N[C@@H]4CC5=CC=CC=C5)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Buchanan, Malcolm S.; Hashimoto, Toshihiro; Asakawa, Yoshinori Cytochalasins from a Daldinia sp. of fungus Phytochemistry 1996 41 (3) 821-828.
DOI	10.1016/0031-9422(95)00644-3	PMID	-

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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