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Compounds

COMPOUND NPA004135

STRUCTURE

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PROPERTIES

NPAID	NPA004135
CLUSTER ID	2187
NODE ID	397
NAME	Pestalotiopin B
FORMULA	C32H49NO6
MOLECULAR WEIGHT (Da)	543.7450
ACCURATE MASS (Da)	543.3560
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	sp.
InChIKey	CCZAVWILUKHBRC-GRJCJMFWSA-N
InChI	InChI=1S/C32H49NO6/c1-7-8-9-10-11-24(19-35)16-20(2)29(36)23(5)31(38)39-28-13-12-21(3)32(6)18-25-22(4)30(37)33(14-15-34)27(25)17-26(28)32/h16-17,21,23-24,29,34-36H,7-15,18-19H2,1-6H3/b20-16+/t21-,23+,24?,29+,32+/m1/s1
SMILES	CCCCCCC(CO)/C=C(\C)/[C@@H]([C@H](C)C(=O)OC1=C2C=C3C(=C(C(=O)N3CCO)C)C[C@]2([C@@H](CC1)C)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Yang, Xiao-Long; Zhang, Su; Zhu, Hua-Jie; Luo, Du-Qiang; Gao, Xue-Yan Eremophilane-Type Sesquiterpenoids from the Fermentation Broth of Plant Endophytic Fungus Pestalotiopsis photiniae Isolated from the Chinese Podocarpaceae Plant Podocarpus macrophyllus Helvetica Chimica Acta 2011 94 (8) 1463-1469.
DOI	10.1002/hlca.201100010	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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