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Compounds

COMPOUND NPA025371

STRUCTURE

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PROPERTIES

NPAID	NPA025371
CLUSTER ID	7684
NODE ID	5249
NAME	Aphidicolin A45
FORMULA	C20H32O4
MOLECULAR WEIGHT (Da)	336.4720
ACCURATE MASS (Da)	336.2301
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Botryotinia
ORIGIN SPECIES	fuckeliana MCCC 3A00494
InChIKey	GHVFAOYRFNOZIJ-HUJIKHNRSA-N
InChI	InChI=1S/C20H32O4/c1-17(11-21)14-5-4-12-16(23)13-10-20(12,9-8-19(13,3)24)18(14,2)7-6-15(17)22/h4,13-16,21-24H,5-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19+,20-/m0/s1
SMILES	C[C@]12CC[C@H]([C@@]([C@@H]1CC=C3[C@@]24CC[C@@]([C@@H](C4)[C@H]3O)(C)O)(C)CO)O

ORIGINAL ISOLATION REFERENCE

CITATION	Niu S; Xia JM; Li Z; Yang LH; Yi ZW; Xie CL; Peng G; Luo ZH; Shao Z; Yang XW Aphidicolin Chemistry of the Deep-Sea-Derived Fungus Botryotinia fuckeliana MCCC 3A00494. Journal of Natural Products 2019 82 (8) 2307-2331.
DOI	10.1021/acs.jnatprod.9b00705	PMID	31403790

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	Botryotinia	MycoBank	40558

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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