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Compounds

COMPOUND NPA016833

STRUCTURE

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PROPERTIES

NPAID	NPA016833
CLUSTER ID	442
NODE ID	400
NAME	Roselipin 3A
FORMULA	C40H70O14
MOLECULAR WEIGHT (Da)	774.9860
ACCURATE MASS (Da)	774.4766
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Clonostachys
ORIGIN SPECIES	candelabrum
InChIKey	GCBOFAMJKLBCMW-PGGQZXSHSA-N
InChI	InChI=1S/C40H70O14/c1-11-20(2)12-21(3)13-26(8)38(54-40-37(50)36(49)35(48)31(18-42)53-40)27(9)15-24(6)32(45)22(4)14-23(5)33(46)25(7)16-28(10)39(51)52-19-30(44)34(47)29(43)17-41/h13-16,20-22,25,27,29-38,40-50H,11-12,17-19H2,1-10H3/t20?,21?,22?,25?,27?,29-,30-,31-,32?,33?,34-,35-,36+,37+,38?,40+/m1/s1
SMILES	CCC(C)CC(C)C=C(C)C(C(C)C=C(C)C(C(C)C=C(C)C(C(C)C=C(C)C(=O)OC[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Ayers, Sloan; Zink, Deborah L.; Mohn, Kenneth; Powell, Joanne S.; Brown, Christine M.; Bills, Gerald; Grund, Alan; Thompson, Donald; Singh, Sheo B. Anthelmintic constituents of clonostachys candelabrum Journal of Antibiotics 2010 63 (3) 119-122.
DOI	10.1038/ja.2009.131	PMID	20075977

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	Bionectriaceae	MycoBank	103887
Genus	Clonostachys	MycoBank	110564

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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