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Compounds

COMPOUND NPA018004

STRUCTURE

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PROPERTIES

NPAID	NPA018004
CLUSTER ID	2255
NODE ID	1786
NAME	Botcinic acid
FORMULA	C20H34O8
MOLECULAR WEIGHT (Da)	402.4840
ACCURATE MASS (Da)	402.2254
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Botrytis
ORIGIN SPECIES	cinerea
InChIKey	XGNHXARWXKZZNY-HZVPPPABSA-N
InChI	InChI=1S/C20H34O8/c1-6-7-8-14(21)9-10-15(22)27-16-11(2)17(23)20(5,28-13(16)4)18(24)12(3)19(25)26/h9-14,16-18,21,23-24H,6-8H2,1-5H3,(H,25,26)/b10-9+/t11-,12-,13+,14+,16-,17+,18+,20+/m1/s1
SMILES	CCCC[C@@H](/C=C/C(=O)O[C@@H]1[C@H]([C@@H]([C@@](O[C@H]1C)(C)[C@H]([C@@H](C)C(=O)O)O)O)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Tani, H.; Koshino, H.; Sakuno, E.; Cutler, H. G.; Nakajima, H. Botcinins E and F and Botcinolide from Botrytis cinerea and Structural Revision of Botcinolides Journal of Natural Products 2006 69 (4) 722-725.
DOI	10.1021/np060071x	PMID	16643065

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Leotiomycetes	MycoBank	147548
Order	Helotiales	MycoBank	5178
Family	Sclerotiniaceae	MycoBank	28983
Genus	Botrytis	MycoBank	33196

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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