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Compounds

COMPOUND NPA009560

STRUCTURE

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PROPERTIES

NPAID	NPA009560
CLUSTER ID	3821
NODE ID	2863
NAME	Aspergilone B
FORMULA	C39H40O6
MOLECULAR WEIGHT (Da)	604.7430
ACCURATE MASS (Da)	604.2825
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	sp.
InChIKey	ZABFMNJNXWCHSA-KSGLQAFKSA-N
InChI	InChI=1S/C39H40O6/c1-22-26(5)44-19-30-32(22)24(3)34(40)38(36(30)42,17-28-13-9-7-10-14-28)21-39(18-29-15-11-8-12-16-29)35(41)25(4)33-23(2)27(6)45-20-31(33)37(39)43/h7-16,19-20,22-23,26-27H,17-18,21H2,1-6H3/t22-,23-,26-,27-,38-,39-/m0/s1
SMILES	C[C@H]1[C@@H](OC=C2C1=C(C(=O)[C@](C2=O)(CC3=CC=CC=C3)C[C@]4(C(=O)C(=C5[C@H]([C@@H](OC=C5C4=O)C)C)C)CC6=CC=CC=C6)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Shao, Chang-Lun; Wang, Chang-Yun; Wei, Mei-Yan; Gu, Yu-Cheng; She, Zhi-Gang; Qian, Pei-Yuan; Lin, Yong-Cheng Aspergilones A and B, two benzylazaphilones with an unprecedented carbon skeleton from the gorgonian-derived fungus Aspergillus sp Bioorganic and Medicinal Chemistry Letters 2011 21 (2) 690-693.
DOI	10.1016/j.bmcl.2010.12.005	PMID	21194945

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	Aspergillus	MycoBank	5052

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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