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Compounds

COMPOUND NPA001301

STRUCTURE

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PROPERTIES

NPAID	NPA001301
CLUSTER ID	416
NODE ID	375
NAME	Cladobotric acid A
FORMULA	C26H36O4
MOLECULAR WEIGHT (Da)	412.5700
ACCURATE MASS (Da)	412.2614
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Cladobotryum
ORIGIN SPECIES	sp.
InChIKey	UMJNSMGAKMOMGN-UCGSJFBRSA-N
InChI	InChI=1S/C26H36O4/c1-6-18(3)24-25(5,30-24)26(29)19(4)16-20-15-17(2)13-14-21(20)22(26)11-9-7-8-10-12-23(27)28/h7-13,16,18,20-22,24,29H,6,14-15H2,1-5H3,(H,27,28)/b8-7+,11-9+,12-10+/t18-,20+,21-,22+,24-,25+,26+/m1/s1
SMILES	CC[C@@H](C)[C@@H]1[C@@](O1)(C)[C@]2([C@H]([C@@H]3CC=C(C[C@H]3C=C2C)C)/C=C/C=C/C=C/C(=O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Mitova, Maya I.; Lang, Gerhard; Blunt, John W.; Cummings, Nicholas J.; Cole, Anthony L. J.; Robinson, Ward T.; Munro, Murray H. G. Cladobotric acids A-F: New cytotoxic polyketides from a New Zealand Cladobotryum sp Journal of Organic Chemistry 2006 71 (2) 492-497.
DOI	10.1021/jo051883l	PMID	16408955

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Hypocreales	MycoBank	5125
Family	Hypocreaceae	MycoBank	5129
Genus	Cladobotryum	MycoBank	73504

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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