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Compounds

COMPOUND NPA030247

STRUCTURE

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PROPERTIES

NPAID	NPA030247
CLUSTER ID	2664
NODE ID	2068
NAME	S-dehydroazasirosterol
FORMULA	C47H59NO6
MOLECULAR WEIGHT (Da)	733.9900
ACCURATE MASS (Da)	733.4342
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Coniothyrium
ORIGIN SPECIES	cerealis
InChIKey	RBONDXITUZWYKS-HWUJHYJKSA-N
InChI	InChI=1S/C47H59NO6/c1-22(2)23(3)11-12-24(4)29-13-14-30-28-20-33-47(21-27(49)15-18-46(47,10)31(28)16-17-45(29,30)9)48-39-41(52)37-36-34(25(5)19-32(50)35(36)43(39)54-33)42-38(40(37)51)44(7,8)26(6)53-42/h11-12,16,19-20,22-24,26-27,29-30,33,48-51H,13-15,17-18,21H2,1-10H3/b12-11+/t23-,24+,26-,27-,29+,30-,33-,45+,46+,47-/m0/s1
SMILES	CC1=CC(O)=C2C3=C(N[C@]45C[C@@H](O)CC[C@]4(C)C4=CC[C@@]6(C)[C@@H](CC[C@@H]6[C@H](C)/C=C/[C@H](C)C(C)C)C4=C[C@@H]5O3)C(=O)C3=C(O)C4=C(O[C@@H](C)C4(C)C)C1=C23

ORIGINAL ISOLATION REFERENCE

CITATION	Elsebai, MF; Ghabbour, HA; Mehiri, M Unusual Nitrogenous Phenalenone Derivatives from the Marine-Derived Fungus Coniothyrium cereale. Molecules 2016 21 (2) 178.
DOI	10.3390/molecules21020178	PMID	26840293

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Dothideomycetes	MycoBank	147541
Order	Pleosporales	MycoBank	92860
Family	Leptosphaeriaceae	MycoBank	34374
Genus	Coniothyrium	MycoBank	78388

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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