Natural Products Atlas | Compounds

The Natural Products Atlas

Login

Compounds

COMPOUND NPA006068

STRUCTURE

Image structure

EXPORT OPTIONS	PNG JSON SDF
PROJECT MOLECULE TO GLOBAL VIEW	See Global

EXTERNAL LINKS

PROPERTIES

NPAID	NPA006068
CLUSTER ID	351
NODE ID	275
NAME	methyl-3′,5′-dichloro-4,4′-di-O-methylatromentate
FORMULA	C21H16Cl2O7
MOLECULAR WEIGHT (Da)	451.2580
ACCURATE MASS (Da)	450.0273
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Scleroderma
ORIGIN SPECIES	sp.
InChIKey	QDZNBMMQDUVSEQ-KNTRCKAVSA-N
InChI	InChI=1S/C21H16Cl2O7/c1-27-12-6-4-10(5-7-12)15-17(24)19(30-21(15)26)16(20(25)29-3)11-8-13(22)18(28-2)14(23)9-11/h4-9,24H,1-3H3/b19-16+
SMILES	COC1=CC=C(C=C1)C2=C(/C(=C(/C3=CC(=C(C(=C3)Cl)OC)Cl)\C(=O)OC)/OC2=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Van Der Sar, Sonia A.; Blunt, John W.; Cole, Anthony L. J.; Din, Laily B.; Munro, Murray H. G. Dichlorinated pulvinic acid derivative from a Malaysian Scleroderma sp Journal of Natural Products 2005 68 (12) 1799-1801.
DOI	10.1021/np0503395	PMID	16378381

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Basidiomycota	MycoBank	5204
Class	Agaricomycetes	MycoBank	155619
Order	Boletales	MycoBank	68889
Family	Sclerodermataceae	MycoBank	37466
Genus	Scleroderma	MycoBank	68787

CLASSYFIRE

Show		Hide
DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

Show		Hide
SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

If you encounter an issue on the website, please submit a bug report, feature request, or general issue through the issue tracker on GitHub.

Made with ♥ using Python

DB Version: 2024_09

Website Version: 3.0.2

Creative Commons License

The Natural Products Atlas is licensed under a Creative Commons Attribution-Noncommercial 4.0 International License.

Back to top of page