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Compounds

COMPOUND NPA007349

STRUCTURE

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PROPERTIES

NPAID	NPA007349
CLUSTER ID	3291
NODE ID	163
NAME	Herbarulide
FORMULA	C28H40O3
MOLECULAR WEIGHT (Da)	424.6250
ACCURATE MASS (Da)	424.2977
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pleospora
ORIGIN SPECIES	herbarum
InChIKey	ZBDCBYOOVMXUHB-WVOOIZFRSA-N
InChI	InChI=1S/C28H40O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)31-25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,15-19,22-24H,9-14H2,1-6H3/b8-7+/t18-,19-,22-,23+,24+,27-,28-/m1/s1
SMILES	C[C@H](/C=C/[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC(=O)OC4=CC(=O)CC[C@]34C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Krohn, Karsten; Biele, Carsten; Aust, Hans-Juergen; Draeger, Siegfried; Schulz, Barbara Herbarulide, a ketodivinyllactone steroid with an unprecedented homo-6- oxaergostane skeleton from the endophytic fungus Pleospora herbarum Journal of Natural Products 1999 62 (4) 629-630.
DOI	10.1021/np980422a	PMID	10217727

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Dothideomycetes	MycoBank	147541
Order	Pleosporales	MycoBank	92860
Family	Pleosporaceae	MycoBank	28556
Genus	Pleospora	MycoBank	28557

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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