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Compounds

COMPOUND NPA001212

STRUCTURE

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PROPERTIES

NPAID	NPA001212
CLUSTER ID	391
NODE ID	352
NAME	Dihydroergosine
FORMULA	C30H39N5O5
MOLECULAR WEIGHT (Da)	549.6720
ACCURATE MASS (Da)	549.2951
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Sphacelia
ORIGIN SPECIES	sorghi
InChIKey	XWMMZDZUHSYSPU-RUHJPGJJSA-N
InChI	InChI=1S/C30H39N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,14,16,18,20,22-24,31,39H,6,9-13,15H2,1-4H3,(H,32,36)/t18-,20?,22+,23?,24-,29+,30-/m0/s1
SMILES	CC(C)CC1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CC5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	MANTLE, P. G.; WAIGHT, E. S. Dihydroergosine: a New Naturally Occurring Alkaloid from the Sclerotia of Sphacelia sorghi Nature 1968 218 (5141) 581-582.
DOI	10.1038/218581a0	PMID	30061475

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	Sphacelia	MycoBank	121535

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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