Natural Products Atlas | Compounds

The Natural Products Atlas

Login

Compounds

COMPOUND NPA005082

STRUCTURE

Image structure

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

EXTERNAL LINKS

PROPERTIES

NPAID	NPA005082
CLUSTER ID	70
NODE ID	65
NAME	3b,5a,6a-Trihydroxyergosta-7,22-diene 6-O-benzoate
FORMULA	C35H50O4
MOLECULAR WEIGHT (Da)	534.7810
ACCURATE MASS (Da)	534.3709
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Agaricus
ORIGIN SPECIES	blazei
InChIKey	QPEMNZQKGBYUMV-LQMRAOCTSA-N
InChI	InChI=1S/C35H50O4/c1-22(2)23(3)12-13-24(4)28-14-15-29-27-20-31(39-32(37)25-10-8-7-9-11-25)35(38)21-26(36)16-19-34(35,6)30(27)17-18-33(28,29)5/h7-13,20,22-24,26,28-31,36,38H,14-19,21H2,1-6H3/b13-12+/t23-,24+,26-,28+,29?,30?,31-,33+,34+,35-/m0/s1
SMILES	C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC2[C@@]1(CCC3C2=C[C@@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)OC(=O)C5=CC=CC=C5)C

ORIGINAL ISOLATION REFERENCE

CITATION	Ueguchi, Yumi; Matsunami, Katsuyoshi; Otsuka, Hideaki; Kondo, Kazunari Constituents of cultivated Agaricus blazei Journal of Natural Medicines 2011 65 (2) 307-312.
DOI	10.1007/s11418-010-0495-5	PMID	21240679

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Basidiomycota	MycoBank	5204
Class	Agaricomycetes	MycoBank	155619
Order	Agaricales	MycoBank	5338
Family	Agaricaceae	MycoBank	5339
Genus	Agaricus	MycoBank	5340

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_03

Website Version: 2.4.1

Creative Commons License

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

Back to top of page