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Compounds

COMPOUND NPA009812

STRUCTURE

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PROJECT MOLECULE TO GLOBAL VIEW	See Global

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PROPERTIES

NPAID	NPA009812
CLUSTER ID	18
NODE ID	18
NAME	1-acetoxychevalone C
FORMULA	C30H42O7
MOLECULAR WEIGHT (Da)	514.6590
ACCURATE MASS (Da)	514.2931
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Neosartorya
ORIGIN SPECIES	spinosa KKU-1NK1
InChIKey	VPBJICBXNDLSCK-AWQWWIMYSA-N
InChI	InChI=1S/C30H42O7/c1-16-13-20(33)19-14-23-28(6)11-9-21-27(4,5)24(35-17(2)31)15-25(36-18(3)32)30(21,8)22(28)10-12-29(23,7)37-26(19)34-16/h13,21-25H,9-12,14-15H2,1-8H3/t21-,22-,23-,24-,25+,28+,29-,30-/m0/s1
SMILES	CC1=CC(=O)C2=C(O1)O[C@]3(CC[C@H]4[C@]([C@@H]3C2)(CC[C@@H]5[C@@]4([C@@H](C[C@@H](C5(C)C)OC(=O)C)OC(=O)C)C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Rajachan, Oue-artorn; Kanokmedhakul, Kwanjai; Sanmanoch, Wareerat; Boonlue, Sophon; Hannongbua, Supa; Saparpakorn, Patchreenart; Kanokmedhakul, Somdej Chevalone C analogues and globoscinic acid derivatives from the fungus Neosartorya spinosa KKU-1NK1 Phytochemistry 2016 132 68-75.
DOI	10.1016/j.phytochem.2016.09.008	PMID	27680770

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Eurotiales	MycoBank	5042
Family	Trichocomaceae	MycoBank	28568
Genus	Neosartorya	MycoBank	36629

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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