Natural Products Atlas | Compounds

The Natural Products Atlas

Login

Compounds

COMPOUND NPA006179

STRUCTURE

Image structure

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

EXTERNAL LINKS

PROPERTIES

NPAID	NPA006179
CLUSTER ID	1459
NODE ID	1185
NAME	Chloropupukeanolide B
FORMULA	C32H33ClO11
MOLECULAR WEIGHT (Da)	629.0580
ACCURATE MASS (Da)	628.1711
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pestalotiopsis
ORIGIN SPECIES	fici
InChIKey	LXBANIVXZDWATL-QWLKSUECSA-N
InChI	InChI=1S/C32H33ClO11/c1-14(2)6-7-29-23-16(10-19(35)24(29)41-29)17-11-27(4)13-28(26(38)39-5)12-21(36)30(27,33)31(17,44-43-23)32(28)40-20-9-15(3)8-18(34)22(20)25(37)42-32/h6,8-11,19,21,23-24,34-36H,7,12-13H2,1-5H3/t19-,21+,23+,24-,27-,28-,29+,30-,31+,32+/m0/s1
SMILES	CC1=CC2=C(C(=C1)O)C(=O)O[C@]3(O2)[C@]4(C[C@H]([C@]5([C@]36C(=C[C@]5(C4)C)C7=C[C@@H]([C@H]8[C@@]([C@@H]7OO6)(O8)CC=C(C)C)O)Cl)O)C(=O)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Liu, Ling; Niu, Shubin; Lu, Xinhua; Chen, Xulin; Zhang, Hua; Guo, Liangdong; Che, Yongsheng Unique metabolites of Pestalotiopsis fici suggest a biosynthetic hypothesis involving a Diels-Alder reaction and then mechanistic diversification Chemical Communications 2010 46 (3) 460-462.
DOI	10.1039/b918330b	PMID	20066325

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Amphisphaeriales	MycoBank	-
Family	Sporocadaceae	MycoBank	1812776
Genus	Pestalotiopsis	MycoBank	37840

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