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Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00000531481	Gold	3!CCMSLIB00000078176
CCMSLIB00006718021	Gold	1
CCMSLIB00010114025	Gold	3
CCMSLIB00010114026	Gold	3
CCMSLIB00010114027	Gold	3
CCMSLIB00010114028	Gold	3
CCMSLIB00010125353	Gold	3
CCMSLIB00010125350	Gold	3
CCMSLIB00010125351	Gold	3
CCMSLIB00010125352	Gold	3
CCMSLIB00010109865	Gold	3
CCMSLIB00010109866	Gold	3
CCMSLIB00010109867	Gold	3
CCMSLIB00010109868	Gold	3
CCMSLIB00010121205	Gold	3
CCMSLIB00010121206	Gold	3
CCMSLIB00010121207	Gold	3
CCMSLIB00010121208	Gold	3

COMPOUND NPA017720

STRUCTURE

Image structure

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PROPERTIES

NPAID	NPA017720
CLUSTER ID	1714
NODE ID	96
NAME	Cyclosporin A
FORMULA	C62H111N11O12
MOLECULAR WEIGHT (Da)	1202.6350
ACCURATE MASS (Da)	1201.8414
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Trichoderma
ORIGIN SPECIES	polysporum
InChIKey	PMATZTZNYRCHOR-CGLBZJNRSA-N
InChI	InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
SMILES	CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Rüegger, A; Kuhn, M; Lichti, H; Loosli, H R; Huguenin, R; Quiquerez, C; von Wartburg, A Cyclosporin A, a Peptide Metabolite from Trichoderma polysporum (Link ex Pers.) Rifai, with a remarkable immunosuppressive activity Helvetica Chimica Acta 1976 59 (4) 1075-1092.
DOI	10.1002/hlca.19760590412	PMID	950308

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	Hypocreaceae	MycoBank	5129
Genus	Trichoderma	MycoBank	5543

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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