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Compounds

COMPOUND NPA000075

STRUCTURE

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PROPERTIES

NPAID	NPA000075
CLUSTER ID	18
NODE ID	18
NAME	Stachybocin E
FORMULA	C50H68N2O8
MOLECULAR WEIGHT (Da)	825.1000
ACCURATE MASS (Da)	824.4976
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Stachybotrys
ORIGIN SPECIES	chartarum MXH-X73
InChIKey	QNKOXDNLJADOFO-UDHJRDDHSA-N
InChI	InChI=1S/C50H68N2O8/c1-27-11-13-37-45(3,4)39(55)15-17-47(37,7)49(27)23-31-35(53)21-29-33(41(31)59-49)25-51(43(29)57)19-9-10-20-52-26-34-30(44(52)58)22-36(54)32-24-50(60-42(32)34)28(2)12-14-38-46(5,6)40(56)16-18-48(38,50)8/h21-22,27-28,37-40,53-56H,9-20,23-26H2,1-8H3/t27-,28-,37+,38+,39-,40-,47+,48+,49-,50-/m1/s1
SMILES	C[C@@H]1CC[C@@H]2[C@@]([C@@]13CC4=C(C=C5C(=C4O3)CN(C5=O)CCCCN6CC7=C8C(=C(C=C7C6=O)O)C[C@@]9(O8)[C@@H](CC[C@@H]1[C@@]9(CC[C@H](C1(C)C)O)C)C)O)(CC[C@H](C2(C)C)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Ma, Xinhua; Li, Letao; Zhu, Tianjiao; Ba, Mingyu; Li, Guoqiang; Gu, Qianqun; Guo, Ying; Li, Dehai Phenylspirodrimanes with anti-HIV activity from the sponge-derived fungus Stachybotrys chartarum mxh-x73 Journal of Natural Products 2013 76 (12) 2298-2306.
DOI	10.1021/np400683h	PMID	24308675

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	Stachybotrys	MycoBank	74721

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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