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Compounds

COMPOUND NPA003411

STRUCTURE

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PROPERTIES

NPAID	NPA003411
CLUSTER ID	33
NODE ID	32
NAME	Calcaride D
FORMULA	C33H42O16
MOLECULAR WEIGHT (Da)	694.6830
ACCURATE MASS (Da)	694.2473
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Calcarisporium
ORIGIN SPECIES	sp. KF525
InChIKey	UIVWEKMYYMKGGR-HEKOCPBTSA-N
InChI	InChI=1S/C33H42O16/c1-16(47-29(42)13-23(36)15-34)6-20-10-22(35)12-25(37)30(20)32(43)49-19(4)9-28(41)46-17(2)7-21-11-24(45-5)14-26(38)31(21)33(44)48-18(3)8-27(39)40/h10-12,14,16-19,23,34-38H,6-9,13,15H2,1-5H3,(H,39,40)/t16-,17-,18-,19-,23+/m1/s1
SMILES	C[C@H](CC1=CC(=CC(=C1C(=O)O[C@H](C)CC(=O)O[C@H](C)CC2=CC(=CC(=C2C(=O)O[C@H](C)CC(=O)O)O)OC)O)O)OC(=O)C[C@@H](CO)O

ORIGINAL ISOLATION REFERENCE

CITATION	Silber, Johanna; Ohlendorf, Birgit; Labes, Antje; Erhard, Arlette; Imhoff, Johannes F. Calcarides A-E, antibacterial macrocyclic and linear polyesters from a calcarisporium strain Marine Drugs 2013 11 (9) 3309-3323.
DOI	10.3390/md11093309	PMID	23994907

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	Calcarisporiaceae	MycoBank	-
Genus	Calcarisporium	MycoBank	150368

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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