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Compounds

COMPOUND NPA024773

STRUCTURE

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PROPERTIES

NPAID	NPA024773
CLUSTER ID	7581
NODE ID	5191
NAME	Mandelalide A
FORMULA	C33H52O11
MOLECULAR WEIGHT (Da)	624.7680
ACCURATE MASS (Da)	624.3510
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Didemnitutus
ORIGIN SPECIES	mandela
InChIKey	BJSSJVCQCFTQDJ-OTSRJQTQSA-N
InChI	InChI=1S/C33H52O11/c1-19-9-6-5-7-11-27-20(2)14-28(44-27)26(35)17-25(18-34)42-29(36)12-8-10-22-15-24(16-23(13-19)41-22)43-33-32(39-4)31(38)30(37)21(3)40-33/h5-9,12,19-28,30-35,37-38H,10-11,13-18H2,1-4H3/b7-5-,9-6+,12-8+/t19-,20+,21-,22-,23+,24+,25+,26+,27+,28+,30-,31+,32+,33-/m0/s1
SMILES	C[C@@H]/1C[C@@H]2C[C@@H](C[C@@H](O2)C/C=C/C(=O)O[C@H](C[C@H]([C@H]3C[C@H]([C@H](O3)C/C=C\C=C1)C)O)CO)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Lopera J; Miller IJ; McPhail KL; Kwan JC Increased Biosynthetic Gene Dosage in a Genome-Reduced Defensive Bacterial Symbiont. mSystems 2017 2 (6) e00096-17.
DOI	10.1128/mSystems.00096-17	PMID	29181447

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Verrucomicrobia	LPSN	74201
Class	Opitutae	LPSN	414999
Order	Opitutales	LPSN	415000
Family	Opitutaceae	LPSN	134623
Genus	Didemnitutus	LPSN	2055839

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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