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Compounds

COMPOUND NPA004183

STRUCTURE

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PROPERTIES

NPAID	NPA004183
CLUSTER ID	1830
NODE ID	1480
NAME	Not named
FORMULA	C29H26N2O11S
MOLECULAR WEIGHT (Da)	610.5970
ACCURATE MASS (Da)	610.1257
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Cladorrhinum
ORIGIN SPECIES	sp. KY4922
InChIKey	IJUUFRHGGGTUHO-HTZDSBNASA-N
InChI	InChI=1S/C29H26N2O11S/c1-30-25(34)26(35)31-23-17(24(33)29(31,43-4)28(30)37)14-40-10-9-20(23)42-27(36)16-6-8-19(39-3)22(12-16)41-21-11-15(13-32)5-7-18(21)38-2/h5-14,20,23-24,33H,1-4H3/t20-,23-,24+,29+/m0/s1
SMILES	CN1C(=O)C(=O)N2[C@@H]3[C@H](C=COC=C3[C@H]([C@]2(C1=O)SC)O)OC(=O)C4=CC(=C(C=C4)OC)OC5=C(C=CC(=C5)C=O)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Onodera, Hideyuki; Hasegawa, Atsuhiro; Tsumagari, Noriko; Nakai, Ryuichiro; Ogawa, Tatsuhiro; Kanda, Yutaka MPC1001 and its analogues: new antitumor agents from the fungus Cladorrhinum species Organic Letters 2004 6 (22) 4101-4104.
DOI	10.1021/ol048202d	PMID	15496109

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Sordariales	MycoBank	5139
Family	Podosporaceae	MycoBank	2609812
Genus	Cladorrhinum	MycoBank	223374

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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