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Compounds

COMPOUND NPA023469

STRUCTURE

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PROPERTIES

NPAID	NPA023469
CLUSTER ID	18
NODE ID	18
NAME	Myrothecisin A
FORMULA	C25H34O7
MOLECULAR WEIGHT (Da)	446.5400
ACCURATE MASS (Da)	446.2305
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Myrothecium
ORIGIN SPECIES	sp. OUCMDZ-2784
InChIKey	UDNDJMKIAPVLNW-RNPRZGRGSA-N
InChI	InChI=1S/C25H34O7/c1-13-6-7-20-23(3,4)22(30)19(31-14(2)28)10-24(20,5)25(13)9-16-18(32-25)8-15(11-26)17(12-27)21(16)29/h8,12-13,19-20,22,26,29-30H,6-7,9-11H2,1-5H3/t13-,19-,20+,22+,24+,25-/m1/s1
SMILES	C[C@@H]1CC[C@@H]2[C@@]([C@@]13CC4=C(O3)C=C(C(=C4O)C=O)CO)(C[C@H]([C@@H](C2(C)C)O)OC(=O)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Xu, Yanchao; Wang, Liping; Zhu, Weiming; Wang, Cong; Liu, Haishan; Zhu, Guoliang; Fu, Peng Meroterpenoids and isocoumarinoids from a myrothecium fungus associated with apocynum venetum Marine Drugs 2018 16 (10) None.
DOI	10.3390/md16100363	PMID	30275406

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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