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Compounds

COMPOUND NPA024068

STRUCTURE

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PROPERTIES

NPAID	NPA024068
CLUSTER ID	7363
NODE ID	3619
NAME	Betaestacin II
FORMULA	C25H36O4
MOLECULAR WEIGHT (Da)	400.5590
ACCURATE MASS (Da)	400.2614
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Unknown-fungus
ORIGIN SPECIES	sp.
InChIKey	OVLRNGJHUUCIHT-LLBDNSMRSA-N
InChI	InChI=1S/C25H36O4/c1-15-5-8-18-16(2)6-9-19(18)17(3)7-10-21-20(22(23(26)27)24(28)29)12-14-25(21,4)13-11-15/h7-8,11,16,19-22H,5-6,9-10,12-14H2,1-4H3,(H,26,27)(H,28,29)/b15-11+,17-7-,18-8+/t16-,19-,20+,21+,25+/m0/s1
SMILES	C[C@H]\1CC[C@@H]/2/C1=C/C/C(=C/C[C@@]3(CC[C@H]([C@H]3C/C=C2/C)C(C(=O)O)C(=O)O)C)/C

ORIGINAL ISOLATION REFERENCE

CITATION	Gao, Lei; Narita, Koji; Ozaki, Taro; Kumakura, Naoyoshi; Gan, Pamela; Minami, Atsushi; Liu, Chengwei; Lei, Xiaoguang; Shirasu, Ken; Oikawa, Hideaki Identification of novel sesterterpenes by genome mining of phytopathogenic fungi Phoma and Colletotrichum sp. Tetrahedron Letters 2018 59 (12) 1136-1139.
DOI	10.1016/j.tetlet.2018.02.022	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Genus	Unknown-fungus	MycoBank	-

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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