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Compounds

COMPOUND NPA002563

STRUCTURE

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PROPERTIES

NPAID	NPA002563
CLUSTER ID	1515
NODE ID	1244
NAME	Isocyclocitrinol B
FORMULA	C25H36O4
MOLECULAR WEIGHT (Da)	400.5590
ACCURATE MASS (Da)	400.2614
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	citrinum HGY1-5
InChIKey	UVBQBSNVVCZFQB-SRXDVEBDSA-N
InChI	InChI=1S/C25H36O4/c1-4-5-23(28)25(3,29)22-9-8-20-19-14-21(27)16-12-15(6-7-17(26)13-16)18(19)10-11-24(20,22)2/h4-6,14,16-18,20,22-23,26,28-29H,7-13H2,1-3H3/b5-4+/t16-,17-,18+,20-,22?,23+,24-,25+/m0/s1
SMILES	C/C=C/[C@H]([C@@](C)(C1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC(=O)[C@@H]4C[C@H](CC=C3C4)O)C)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Du, Lin; Zhu, Tianjiao; Fang, Yuchun; Gu, Qianqun; Zhu, Weiming Unusual C25 steroid isomers with bicyclo[4.4.1]A/B rings from a volcano ash-derived fungus Penicillium citrinum Journal of Natural Products 2008 71 (8) 1343-1351.
DOI	10.1021/np8000442	PMID	18656987

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	Aspergillaceae	MycoBank	1131492
Genus	Penicillium	MycoBank	5073

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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