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Compounds

COMPOUND NPA006107

STRUCTURE

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PROPERTIES

NPAID	NPA006107
CLUSTER ID	83
NODE ID	78
NAME	Not named
FORMULA	C31H38N2O9S2
MOLECULAR WEIGHT (Da)	646.7840
ACCURATE MASS (Da)	646.2019
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Menisporopsis
ORIGIN SPECIES	theobromae BCC 3975
InChIKey	VFDHVMKCCDEIQX-KBGDTOIJSA-N
InChI	InChI=1S/C31H38N2O9S2/c1-7-15(2)24(35)16(3)25(36)17(4)27(38)42-21-11-12-41-14-18-13-30(43-5)28(39)33-23-19(9-8-10-20(23)34)26(37)31(33,44-6)29(40)32(30)22(18)21/h7-12,14,16-17,20-23,25-26,34,36-37H,13H2,1-6H3/b15-7+/t16?,17?,20-,21-,22-,23-,25?,26+,30+,31+/m0/s1
SMILES	C/C=C(\C)/C(=O)C(C)C(C(C)C(=O)O[C@H]1C=COC=C2[C@@H]1N3C(=O)[C@@]4([C@@H](C5=CC=C[C@@H]([C@H]5N4C(=O)[C@@]3(C2)SC)O)O)SC)O

ORIGINAL ISOLATION REFERENCE

CITATION	Chinworrungsee, Maneekarn; Kittakoop, Prasat; Saenboonrueng, Janya; Kongsaeree, Palangpon; Thebtaranonth, Yodhathai Bioactive compounds from the seed fungus Menisporopsis theobromae BCC 3975 Journal of Natural Products 2006 69 (10) 1404-1410.
DOI	10.1021/np0601197	PMID	17067151

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Chaetosphaeriales	MycoBank	261460
Family	Chaetosphaeriaceae	MycoBank	103886
Genus	Menisporopsis	MycoBank	752603

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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