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Compounds

COMPOUND NPA012037

STRUCTURE

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PROPERTIES

NPAID	NPA012037
CLUSTER ID	543
NODE ID	485
NAME	MPC1001
FORMULA	C28H24N2O10S2
MOLECULAR WEIGHT (Da)	612.6380
ACCURATE MASS (Da)	612.0872
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Cladorrhinum
ORIGIN SPECIES	sp.
InChIKey	BPRXOIXJSLNVCK-SZEHRFTISA-N
InChI	InChI=1S/C28H24N2O10S2/c1-29-25(34)28-23(32)15-12-38-9-8-18-21(15)30(28)26(35)27(29,41-42-28)22(31)13-4-6-16(36-2)19(10-13)39-20-11-14(24(33)40-18)5-7-17(20)37-3/h4-12,18,21-23,31-32H,1-3H3/t18-,21-,22-,23+,27?,28+/m0/s1
SMILES	CN1C(=O)[C@]23[C@@H](C4=COC=C[C@H]5[C@H]4N2C(=O)C1([C@H](C6=CC(=C(C=C6)OC)OC7=C(C=CC(=C7)C(=O)O5)OC)O)SS3)O

ORIGINAL ISOLATION REFERENCE

CITATION	TSUMAGARI, NORIKO; NAKAI, RYUICHIRO; ONODERA, HIDEYUKI; HASEGAWA, ATSUHIRO; RAHAYU, ENDANG S.; ANDO, KATSUHIKO; YAMASHITA, YOSHINORI MPC1001, a New Antitumor Antibiotic Produced by Cladorrhinum sp Journal of Antibiotics 2004 57 (8) 532-534.
DOI	10.7164/antibiotics.57.532	PMID	15515891

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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