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Compounds

COMPOUND NPA020037

STRUCTURE

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PROPERTIES

NPAID	NPA020037
CLUSTER ID	6380
NODE ID	4417
NAME	Homodimericin A
FORMULA	C28H26O8
MOLECULAR WEIGHT (Da)	490.5080
ACCURATE MASS (Da)	490.1628
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Trichoderma
ORIGIN SPECIES	harzianum
InChIKey	QKNJDMWFQJHKLS-JZWHQYQUSA-N
InChI	InChI=1S/C28H26O8/c1-5-6-7-8-26(36)14-9-15-16(29)10-25-17(18(30)11(2)19(31)23(25)34)21(26)27(13(14)4)24(35)20(32)12(3)22(33)28(15,25)27/h5-9,13-14,17,21,31-32,36H,10H2,1-4H3/b6-5+,8-7+/t13-,14+,17-,21+,25+,26+,27-,28-/m0/s1
SMILES	C/C=C/C=C/[C@]1([C@@H]2C=C3C(=O)C[C@@]45[C@@]36C(=O)C(=C(C(=O)[C@]6([C@H]2C)[C@@H]1[C@@H]4C(=O)C(=C(C5=O)O)C)O)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Mevers E; Saurí J; Liu Y; Moser A; Ramadhar TR; Varlan M; Williamson RT; Martin GE; Clardy J Homodimericin A: A Complex Hexacyclic Fungal Metabolite. Journal of the American Chemical Society 2016 138 (38) 12324-7.
DOI	10.1021/jacs.6b07588	PMID	27608853

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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