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Compounds

COMPOUND NPA010100

STRUCTURE

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PROPERTIES

NPAID	NPA010100
CLUSTER ID	260
NODE ID	237
NAME	Chaetocochin I
FORMULA	C31H30N6O6S7
MOLECULAR WEIGHT (Da)	807.0860
ACCURATE MASS (Da)	806.0272
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Chaetomium
ORIGIN SPECIES	globosum
InChIKey	YISUSQYDZYMJHH-QBFIAXCUSA-N
InChI	InChI=1S/C31H30N6O6S7/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-49-50-47-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,46-48-45-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3/t22-,27?,28+,29+,30+,31+/m1/s1
SMILES	CN1C(=O)[C@]2(N(C(=O)[C@@]1(SSSS2)CC3=CN(C4=CC=CC=C43)C56C[C@]78C(=O)N([C@](C(=O)N7[C@H]5NC9=CC=CC=C69)(SSS8)CO)C)C)CO

ORIGINAL ISOLATION REFERENCE

CITATION	Xu, Guo-Bo; He, Gu; Bai, Huan-Huan; Yang, Tao; Zhang, Guo-Lin; Wu, Lin-Wei; Li, Guo-You Indole Alkaloids from Chaetomium globosum Journal of Natural Products 2015 78 (7) 1479-1485.
DOI	10.1021/np5007235	PMID	26125976

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	Chaetomiaceae	MycoBank	35718
Genus	Chaetomium	MycoBank	5149

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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