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Compounds

COMPOUND NPA033274

STRUCTURE

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PROJECT MOLECULE TO GLOBAL VIEW	See Global

EXTERNAL LINKS

PROPERTIES

NPAID	NPA033274
CLUSTER ID	63
NODE ID	59
NAME	Calidoustene B
FORMULA	C23H28O6
MOLECULAR WEIGHT (Da)	400.4710
ACCURATE MASS (Da)	400.1886
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	calidoustus
InChIKey	QBULWWZLNPVFLC-OFUOHYCUSA-N
InChI	InChI=1S/C23H28O6/c1-21(2)11-9-12-22(3)19(21)17(14-16-15-28-20(26)23(16,22)27)29-18(25)10-7-5-4-6-8-13-24/h4-8,10,13-14,17,19,27H,9,11-12,15H2,1-3H3/b5-4+,8-6+,10-7+/t17-,19+,22+,23+/m1/s1
SMILES	CC1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)/C=C/C=C/C=C/C=O)C=C1COC(=O)[C@@]12O

ORIGINAL ISOLATION REFERENCE

CITATION	Hoefgen, Sandra; Huang, Ying; Valiante, Vito Biosynthesis of Fungal Drimane-Type Sesquiterpene Esters Angewandte Chemie International Edition 2021 60 (44) 23763-23770.
DOI	10.1002/anie.202108970	PMID	34468074

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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