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Compounds

COMPOUND NPA001476

STRUCTURE

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PROPERTIES

NPAID	NPA001476
CLUSTER ID	66
NODE ID	62
NAME	JBIR-97
FORMULA	C33H28O12
MOLECULAR WEIGHT (Da)	616.5750
ACCURATE MASS (Da)	616.1581
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Tritirachium
ORIGIN SPECIES	sp.
InChIKey	XJLSYLMIJJHRIP-NWNXXEBJSA-N
InChI	InChI=1S/C33H28O12/c1-12-10-32-11-14-9-18-23(29(41)24-17(36)7-8-19(37)33(24,45-18)31(42)43-3)26(38)21(14)20(12)27(39)25(32)28(40)22-15(5-4-6-16(22)35)30(32)44-13(2)34/h4-6,9-10,19-20,30,35,37-38,40-41H,7-8,11H2,1-3H3/t19?,20-,30?,32?,33?/m0/s1
SMILES	CC1=CC23CC4=CC5=C(C(=C4[C@H]1C(=O)C2=C(C6=C(C3OC(=O)C)C=CC=C6O)O)O)C(=C7C(=O)CCC(C7(O5)C(=O)OC)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Ueda, Jun-ya; Takagi, Motoki; Shin-ya, Kazuo New xanthoquinodin-like compounds, JBIR-97, -98 and -99, obtained from marine sponge-derived fungus Tritirachium sp. SpB081112MEf2 Journal of Antibiotics 2010 63 (10) 615-618.
DOI	10.1038/ja.2010.92	PMID	20683450

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Basidiomycota	MycoBank	5204
Genus	Tritirachium	MycoBank	1001993

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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