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Compounds

COMPOUND NPA033172

STRUCTURE

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PROJECT MOLECULE TO GLOBAL VIEW	See Global

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PROPERTIES

NPAID	NPA033172
CLUSTER ID	4894
NODE ID	1612
NAME	Py-469
FORMULA	C27H35NO6
MOLECULAR WEIGHT (Da)	469.5780
ACCURATE MASS (Da)	469.2464
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	variabile
InChIKey	QCCHEDFWNWXQQL-OYGCYDAYSA-N
InChI	InChI=1S/C27H35NO6/c1-4-5-16-17-10-13(2)6-7-15(17)14(3)11-18(16)22(30)21-23(31)19(12-28-26(21)32)27(33)9-8-20(29)24-25(27)34-24/h4-5,11-13,15-18,20,24-25,29,33H,6-10H2,1-3H3,(H2,28,31,32)/b5-4+/t13-,15+,16+,17-,18+,20+,24-,25-,27+/m0/s1
SMILES	C/C=C/[C@H]1[C@H](C(=O)C2=C(O)C([C@]3(O)CC[C@@H](O)[C@@H]4O[C@@H]43)=C[NH]C2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21

ORIGINAL ISOLATION REFERENCE

CITATION	Kim, Lee Joon; Ohashi, Masao; Zhang, Zhuan; Tan, Dan; Asay, Matthew; Cascio, Duilio; Rodriguez, José A.; Tang, Yi; Nelson, Hosea M. Prospecting for natural products by genome mining and microcrystal electron diffraction Nature Chemical Biology 2021 17 (8) 872-877.
DOI	10.1038/s41589-021-00834-2	PMID	34312563

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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