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Compounds

COMPOUND NPA018243

STRUCTURE

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PROPERTIES

NPAID	NPA018243
CLUSTER ID	6019
NODE ID	3485
NAME	(+)-(7S,9R,10R)-3,9,12-trihydroxycalamenene
FORMULA	C15H22O3
MOLECULAR WEIGHT (Da)	250.3380
ACCURATE MASS (Da)	250.1569
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Phomopsis
ORIGIN SPECIES	cassiae
InChIKey	MGBUZVXHLLSUJN-UFFDXJJYSA-N
InChI	InChI=1S/C15H22O3/c1-8-4-13-11(9(2)7-16)5-15(18)10(3)12(13)6-14(8)17/h4,6,9-11,15-18H,5,7H2,1-3H3/t9?,10-,11+,15-/m1/s1
SMILES	C[C@H]1[C@@H](C[C@H](C2=CC(=C(C=C12)O)C)C(C)CO)O

ORIGINAL ISOLATION REFERENCE

CITATION	Silva, Geraldo Humberto; Teles, Helder Lopes; Zanardi, Lisineia Maria; Marx Young, Maria Claudia; Eberlin, Marcos Nogueira; Hadad, Renato; Pfenning, Ludwig H.; Costa-Neto, Claudio Miguel; Castro-Gamboa, Ian; da Silva Bolzani, Vanderlan; Araujo, Angela Regina Cadinane sesquiterpenoids of Phomopsis cassiae, an endophytic fungus associated with Cassia spectabilis (Leguminosae) Phytochemistry 2006 67 (17) 1964-1969.
DOI	10.1016/j.phytochem.2006.06.004	PMID	16857221

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Genus	Phomopsis	MycoBank	34399

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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