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Compounds

COMPOUND NPA024295

STRUCTURE

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PROPERTIES

NPAID	NPA024295
CLUSTER ID	7418
NODE ID	5075
NAME	Cyclohelminthol Y3
FORMULA	C42H45Cl2NO11
MOLECULAR WEIGHT (Da)	810.7240
ACCURATE MASS (Da)	809.2370
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Helminthosporium
ORIGIN SPECIES	velutinum yone96
InChIKey	FTGIVFUQJMQYFE-INWVDRSPSA-N
InChI	InChI=1S/C42H45Cl2NO11/c1-6-9-10-11-14-39-36(54)45-37(55)42(39,32(49)27-24-18(4)15-20(35(52)53)16-21(24)17-38(27,56)23(46)13-8-3)41(39)31(48)25(29(44)34(41)51)26-19(5)40(26)30(47)22(12-7-2)28(43)33(40)50/h7-8,12-13,18-21,24,26-27,56H,6,9-11,14-17H2,1-5H3,(H,52,53)(H,45,54,55)/b12-7+,13-8+/t18-,19+,20+,21-,24+,26-,27+,38-,39-,40-,41-,42-/m0/s1
SMILES	CCCCCC[C@@]12C(=O)NC(=O)[C@@]1([C@]23C(=O)C(=C(C3=O)Cl)[C@@H]4[C@H]([C@@]45C(=O)C(=C(C5=O)Cl)/C=C/C)C)C(=O)[C@H]6[C@@H]7[C@H](C[C@H](C[C@H]7C[C@@]6(C(=O)/C=C/C)O)C(=O)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Tanaka, Shizuya; Tanaka, Kazuaki; Maeda, Hayato; Hashimoto, Masaru Cyclohelminthols Y1-Y4 Metabolites Possessing Two Spirocyclopropanes in Their Structure Journal of Organic Chemistry 2018 83 (10) 5688-5697.
DOI	10.1021/acs.joc.8b00727	PMID	29719958

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Dothideomycetes	MycoBank	147541
Order	Pleosporales	MycoBank	92860
Family	Massarinaceae	MycoBank	290882
Genus	Helminthosporium	MycoBank	58127

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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