Natural Products Atlas | Compounds

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Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00000085541	Gold	MLS002153977-01!Ergocryptine-alpha511-09-1
CCMSLIB00004720705	Bronze	Alpha-Ergocryptine
CCMSLIB00004720706	Bronze	Alpha-Ergocryptine
CCMSLIB00004720707	Bronze	Alpha-Ergocryptine
CCMSLIB00004720708	Bronze	Alpha-Ergocryptine
CCMSLIB00004720709	Bronze	Alpha-Ergocryptine
CCMSLIB00004720710	Bronze	Alpha-Ergocryptine
CCMSLIB00004720711	Bronze	Alpha-Ergocryptine
CCMSLIB00004720712	Bronze	Alpha-Ergocryptine
CCMSLIB00004720713	Bronze	Alpha-Ergocryptine
CCMSLIB00004720714	Bronze	Alpha-Ergocryptine
CCMSLIB00004720715	Bronze	Alpha-Ergocryptine
CCMSLIB00004720716	Bronze	Alpha-Ergocryptine
CCMSLIB00004720717	Bronze	Alpha-Ergocryptine
CCMSLIB00004720718	Bronze	Alpha-Ergocryptine
CCMSLIB00004720719	Bronze	Alpha-Ergocryptine
CCMSLIB00005727525	Gold	3
CCMSLIB00005727417	Gold	3
CCMSLIB00005727383	Gold	3
CCMSLIB00005727792	Gold	3
CCMSLIB00005727774	Gold	3
CCMSLIB00005727821	Gold	3
CCMSLIB00005727947	Gold	3
CCMSLIB00005727212	Gold	3
CCMSLIB00005727794	Gold	3
CCMSLIB00005727517	Gold	3
CCMSLIB00005727499	Gold	3
CCMSLIB00005727780	Gold	3
CCMSLIB00005727260	Gold	3
CCMSLIB00005727115	Gold	3
CCMSLIB00005727592	Gold	3
CCMSLIB00000211030	Gold	3
CCMSLIB00003136974	Gold	3
CCMSLIB00012086134	Gold	4
CCMSLIB00012086133	Gold	4
CCMSLIB00012086135	Gold	4
CCMSLIB00009925931	Gold	4
CCMSLIB00009925930	Gold	4
CCMSLIB00009925932	Gold	4

COMPOUND NPA004443

STRUCTURE

Image structure

EXPORT OPTIONS	PNG JSON SDF
PROJECT MOLECULE TO GLOBAL VIEW	See Global

EXTERNAL LINKS

PROPERTIES

NPAID	NPA004443
CLUSTER ID	391
NODE ID	352
NAME	α-ergocryptine
FORMULA	C32H41N5O5
MOLECULAR WEIGHT (Da)	575.7100
ACCURATE MASS (Da)	575.3108
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Claviceps
ORIGIN SPECIES	zizaniae CCM 8240
InChIKey	YDOTUXAWKBPQJW-NSLWYYNWSA-N
InChI	InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1
SMILES	CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Kantorova, Michaela; Kolinska, Renata; Pazoutova, Sylvie; Honzatko, Ales; Havlicek, Vladimir; Flieger, Miroslav Ergot alkaloids produced by submerged cultures of Claviceps zizaniae Journal of Natural Products 2002 65 (7) 1039-1040.
DOI	10.1021/np010639w	PMID	12141870

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	Clavicipitaceae	MycoBank	34397
Genus	Claviceps	MycoBank	5110

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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