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Compounds

COMPOUND NPA024232

STRUCTURE

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PROPERTIES

NPAID	NPA024232
CLUSTER ID	2278
NODE ID	1810
NAME	3,14,25-Trihydroxy-24-hydroxymethylergosta-7,22-dien-6-one
FORMULA	C28H44O5
MOLECULAR WEIGHT (Da)	460.6550
ACCURATE MASS (Da)	460.3189
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Flammulina
ORIGIN SPECIES	velutipes
InChIKey	KZXSEYDTLJXXRM-DQXYIBCXSA-N
InChI	InChI=1S/C28H44O5/c1-17(6-7-18(16-29)25(2,3)32)20-10-13-28(33)22-15-24(31)23-14-19(30)8-11-26(23,4)21(22)9-12-27(20,28)5/h6-7,15,17-21,23,29-30,32-33H,8-14,16H2,1-5H3/b7-6+/t17-,18-,19+,20-,21+,23-,26-,27-,28-/m1/s1
SMILES	C[C@H](/C=C/[C@H](CO)C(C)(C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Tao, Qiaoqiao; Ma, Ke; Yang, Yanlong; Wang, Kai; Chen, Baosong; Huang, Ying; Han, Junjie; Bao, Li; Liu, Xiao-Bin; Yang, Zhuliang; Yin, Wen-Bing; Liu, Hongwei Bioactive Sesquiterpenes from the Edible Mushroom Flammulina velutipes and Their Biosynthetic Pathway Confirmed by Genome Analysis and Chemical Evidence Journal of Organic Chemistry 2016 81 (20) 9867-9877.
DOI	10.1021/acs.joc.6b01971	PMID	27684789

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Basidiomycota	MycoBank	5204
Class	Agaricomycetes	MycoBank	155619
Order	Agaricales	MycoBank	5338
Family	Physalacriaceae	MycoBank	862241
Genus	Flammulina	MycoBank	38944

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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