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Compounds

COMPOUND NPA024500

STRUCTURE

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PROPERTIES

NPAID	NPA024500
CLUSTER ID	1386
NODE ID	1164
NAME	Allantoside
FORMULA	C43H81NO9
MOLECULAR WEIGHT (Da)	756.1190
ACCURATE MASS (Da)	755.5911
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Xylaria
ORIGIN SPECIES	allantoidea SWUF76
InChIKey	IBCPPKSJOHVFEF-NSWGQNMASA-N
InChI	InChI=1S/C43H81NO9/c1-4-6-8-10-12-14-16-18-20-22-26-31-37(47)42(51)44-35(33-52-43-41(50)40(49)39(48)38(32-45)53-43)36(46)30-27-23-25-29-34(3)28-24-21-19-17-15-13-11-9-7-5-2/h27,29-30,35-41,43,45-50H,4-26,28,31-33H2,1-3H3,(H,44,51)/b30-27+,34-29+/t35-,36+,37+,38+,39+,40-,41+,43+/m0/s1
SMILES	CCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CC/C=C(\C)/CCCCCCCCCCCC)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	McCloskey, Sirirath; Noppawan, Somchai; Mongkolthanaruk, Wiyada; Suwannasai, Nuttika; Senawong, Thanaset; Prawat, Uma A new cerebroside and the cytotoxic constituents isolated from Xylaria allantoidea SWUF76 Natural Product Research 2017 31 (12) 1422-1430.
DOI	10.1080/14786419.2016.1258559	PMID	27868429

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Xylariales	MycoBank	37989
Family	Xylariaceae	MycoBank	37990
Genus	Xylaria	MycoBank	37991

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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