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Compounds

COMPOUND NPA008983

STRUCTURE

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PROPERTIES

NPAID	NPA008983
CLUSTER ID	3609
NODE ID	2714
NAME	Chloropestolide B
FORMULA	C33H35ClO11
MOLECULAR WEIGHT (Da)	643.0850
ACCURATE MASS (Da)	642.1868
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pestalotiopsis
ORIGIN SPECIES	fici
InChIKey	WNDQDJWJVKECHL-VDOBOWPVSA-N
InChI	InChI=1S/C33H35ClO11/c1-16(2)7-10-31-24(37)18(13-20(36)25(31)44-31)8-9-29(4)15-30(28(40)42-6)14-22(41-5)32(29,34)27(39)33(30)43-21-12-17(3)11-19(35)23(21)26(38)45-33/h7,9,11-12,14,20,24-25,35-37H,10,13,15H2,1-6H3/t8?,20-,24+,25-,29+,30-,31+,32+,33-/m0/s1
SMILES	CC1=CC2=C(C(=C1)O)C(=O)O[C@@]3(O2)C(=O)[C@@]4(C(=C[C@]3(C[C@@]4(C)C=C=C5C[C@@H]([C@H]6[C@@]([C@@H]5O)(O6)CC=C(C)C)O)C(=O)OC)OC)Cl

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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