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Compounds

COMPOUND NPA014072

STRUCTURE

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PROPERTIES

NPAID	NPA014072
CLUSTER ID	26
NODE ID	25
NAME	Verrucamide A
FORMULA	C68H114N14O18
MOLECULAR WEIGHT (Da)	1415.7400
ACCURATE MASS (Da)	1414.8436
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Myrothecium
ORIGIN SPECIES	verrucaria
InChIKey	BUPUBRBSFXCQCS-YKZDBECRSA-N
InChI	InChI=1S/C68H114N14O18/c1-22-38(11)53-68(100)79(18)46(33-84)63(95)80(19)54(39(12)23-2)60(92)71-44(32-83)58(90)74-51(36(7)8)65(97)78(17)45(29-43-27-25-24-26-28-43)59(91)70-31-47(87)72-49(34(3)4)66(98)81(20)55(41(14)85)62(94)76-52(37(9)10)67(99)82(21)56(42(15)86)61(93)75-50(35(5)6)64(96)77(16)40(13)57(89)69-30-48(88)73-53/h24-28,34-42,44-46,49-56,83-86H,22-23,29-33H2,1-21H3,(H,69,89)(H,70,91)(H,71,92)(H,72,87)(H,73,88)(H,74,90)(H,75,93)(H,76,94)/t38?,39?,40-,41?,42?,44+,45-,46+,49+,50+,51+,52+,53+,54+,55+,56+/m1/s1
SMILES	CCC(C)[C@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)NCC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)NCC(=O)N1)C)C)C(C)C)C(C)O)C)C(C)C)C(C)O)C)C(C)C)CC2=CC=CC=C2)C)C(C)C)CO)C(C)CC)C)CO)C

ORIGINAL ISOLATION REFERENCE

CITATION	Zou, Xianwei; Niu, Shubin; Ren, Jinwei; Li, Erwei; Liu, Xingzhong; Che, Yongsheng Verrucamides A-D, antibacterial cyclopeptides from Myrothecium verrucaria Journal of Natural Products 2011 74 (5) 1111-1116.
DOI	10.1021/np200050r	PMID	21539317

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Hypocreales	MycoBank	5125
Family	Stachybotryaceae	MycoBank	1667166
Genus	Myrothecium	MycoBank	5531

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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