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Compounds

COMPOUND NPA033275

STRUCTURE

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PROPERTIES

NPAID	NPA033275
CLUSTER ID	63
NODE ID	59
NAME	Calidoustene C
FORMULA	C23H30O6
MOLECULAR WEIGHT (Da)	402.4870
ACCURATE MASS (Da)	402.2042
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	calidoustus
InChIKey	SCKUBOALXZYSRC-MZEWFBALSA-N
InChI	InChI=1S/C23H30O6/c1-5-6-7-8-9-11-17(24)28-16-14-15-19(25)29-20(26)23(15,27)22(4)13-10-12-21(2,3)18(16)22/h5-9,11,14,16,18,20,26-27H,10,12-13H2,1-4H3/b6-5+,8-7+,11-9+/t16-,18+,20-,22+,23+/m1/s1
SMILES	C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2C(=O)O[C@@H](O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12

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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