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Compounds

COMPOUND NPA003711

STRUCTURE

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PROPERTIES

NPAID	NPA003711
CLUSTER ID	381
NODE ID	343
NAME	Mariline A2
FORMULA	C33H43NO5
MOLECULAR WEIGHT (Da)	533.7090
ACCURATE MASS (Da)	533.3141
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Stachylidium
ORIGIN SPECIES	sp.
InChIKey	HKXBQPCKPGEUKH-ZMIGGIFCSA-N
InChI	InChI=1S/C33H43NO5/c1-21(2)11-10-12-23(5)16-18-38-29-20-27-25(7)34(33(35)31(27)32(37-9)24(29)6)28-14-13-26(36-8)19-30(28)39-17-15-22(3)4/h11,13-16,19-20,25H,10,12,17-18H2,1-9H3/b23-16+/t25-/m0/s1
SMILES	C[C@H]1C2=CC(=C(C(=C2C(=O)N1C3=C(C=C(C=C3)OC)OCC=C(C)C)OC)C)OC/C=C(\C)/CCC=C(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Almeida, Celso; Hemberger, Yasmin; Schmitt, Sven Marcel; Bouhired, Sarah; Natesan, Lavanya; Kehraus, Stefan; Dimas, Konstantinos; Gütschow, Michael; Bringmann, Gerhard; König, Gabriele M. Marilines A-C: Novel Phthalimidines from the Sponge-Derived Fungus Stachylidium sp Chemistry - A European Journal 2012 18 (28) 8827-8834.
DOI	10.1002/chem.201103278	PMID	22711513

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Genus	Stachylidium	MycoBank	796327

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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