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Compounds

COMPOUND NPA035823

STRUCTURE

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PROJECT MOLECULE TO GLOBAL VIEW	See Global

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PROPERTIES

NPAID	NPA035823
CLUSTER ID	106
NODE ID	101
NAME	5-bromoisorotiorin
FORMULA	C23H23BrO5
MOLECULAR WEIGHT (Da)	459.3360
ACCURATE MASS (Da)	458.0729
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	sclerotiorum E23Y–1A
InChIKey	FUYVGAYCTROEOR-UNSJDTSZSA-N
InChI	InChI=1S/C23H23BrO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-28-15)19-18(14(4)25)22(27)29-23(19,5)21(26)20(16)24/h7-12H,6H2,1-5H3/b8-7+,13-9+/t12-,23+/m0/s1
SMILES	CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Br)C(=O)[C@]3(C)OC(=O)C(C(C)=O)=C3C2=CO1

ORIGINAL ISOLATION REFERENCE

CITATION	Wang, Zhi; Zeng, Yanbo; Zhao, Weibo; Dai, Haofu; Chang, Wenjun; Lv, Fang Structures and biological activities of brominated azaphilones produced by Penicillium sclerotiorum E23Y–1A Phytochemistry Letters 2022 52 138-142.
DOI	10.1016/j.phytol.2022.10.005	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Eurotiales	MycoBank	5042
Family	Aspergillaceae	MycoBank	1131492
Genus	Penicillium	MycoBank	5073

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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