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Compounds

COMPOUND NPA018935

STRUCTURE

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PROPERTIES

NPAID	NPA018935
CLUSTER ID	4967
NODE ID	3566
NAME	Pestalofone C
FORMULA	C32H40O6
MOLECULAR WEIGHT (Da)	520.6660
ACCURATE MASS (Da)	520.2825
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pestalotiopsis
ORIGIN SPECIES	fici
InChIKey	LJTKUBXRWULZKS-PDIAYQMFSA-N
InChI	InChI=1S/C32H40O6/c1-17(2)8-10-31-26(35)22(14-24(33)27(31)37-31)21-13-20(7)15-30(23(21)12-19(5)6)16-25(34)28-32(38-28,29(30)36)11-9-18(3)4/h8-9,12-13,24-25,27-28,33-34H,5,10-11,14-16H2,1-4,6-7H3/b22-21+,23-12-/t24-,25-,27-,28-,30+,31+,32-/m0/s1
SMILES	CC1=C/C(=C\2/C[C@@H]([C@H]3[C@@](C2=O)(O3)CC=C(C)C)O)/C(=C/C(=C)C)/[C@@]4(C1)C[C@@H]([C@H]5[C@@](C4=O)(O5)CC=C(C)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Liu, Ling; Liu, Shuchun; Chen, Xulin; Guo, Liangdong; Che, Yongsheng Pestalofones A-E, bioactive cyclohexanone derivatives from the plant endophytic fungus Pestalotiopsis fici Bioorganic and Medicinal Chemistry 2009 17 (2) 606-613.
DOI	10.1016/j.bmc.2008.11.066	PMID	19101157

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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