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Compounds

COMPOUND NPA019128

STRUCTURE

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PROPERTIES

NPAID	NPA019128
CLUSTER ID	1161
NODE ID	991
NAME	Chloropestolide E
FORMULA	C33H35ClO11
MOLECULAR WEIGHT (Da)	643.0850
ACCURATE MASS (Da)	642.1868
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pestalotiopsis
ORIGIN SPECIES	fici
InChIKey	BETJPYMBAGJTRK-MWQFATPCSA-N
InChI	InChI=1S/C33H35ClO11/c1-14(2)6-7-32-27(39)18(11-20(37)29(32)44-32)17-8-16(4)12-31(22(38)13-35)24(17)26(42-5)25(34)28(40)33(31)43-21-10-15(3)9-19(36)23(21)30(41)45-33/h6,8-10,20,24,27,29,35-37,39H,7,11-13H2,1-5H3/b18-17-/t20-,24+,27+,29-,31-,32+,33-/m0/s1
SMILES	CC1=C/C(=C/2\C[C@@H]([C@H]3[C@@]([C@@H]2O)(O3)CC=C(C)C)O)/[C@@H]4C(=C(C(=O)[C@]5([C@@]4(C1)C(=O)CO)OC6=C(C(=CC(=C6)C)O)C(=O)O5)Cl)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Liu, Ling; Li, Yan; Li, Li; Cao, Ya; Guo, Liangdong; Liu, Gang; Che, Yongsheng Spiroketals of pestalotiopsis fici provide evidence for a biosynthetic hypothesis involving diversified diels-alder reaction cascades Journal of Organic Chemistry 2013 78 (7) 2992-3000.
DOI	10.1021/jo302804h	PMID	23489375

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Amphisphaeriales	MycoBank	-
Family	Sporocadaceae	MycoBank	1812776
Genus	Pestalotiopsis	MycoBank	37840

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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