Natural Products Atlas

Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00000478084	Silver	Ergosterol&Peroxide_120246
CCMSLIB00004713693	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713694	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713695	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713696	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713697	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713698	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713699	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713700	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713701	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713702	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713703	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713704	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713705	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713706	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00004713707	Bronze	(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
CCMSLIB00000848042	Gold	1
CCMSLIB00012129803	Gold	4
CCMSLIB00012129808	Gold	4
CCMSLIB00012129802	Gold	4
CCMSLIB00012129806	Gold	4
CCMSLIB00012129810	Gold	4
CCMSLIB00012129805	Gold	4
CCMSLIB00012129801	Gold	4
CCMSLIB00012129804	Gold	4
CCMSLIB00012129807	Gold	4
CCMSLIB00012129809	Gold	4
CCMSLIB00009969600	Gold	4
CCMSLIB00009969605	Gold	4
CCMSLIB00009969599	Gold	4
CCMSLIB00009969603	Gold	4
CCMSLIB00009969607	Gold	4
CCMSLIB00009969602	Gold	4
CCMSLIB00009969598	Gold	4
CCMSLIB00009969601	Gold	4
CCMSLIB00009969604	Gold	4
CCMSLIB00009969606	Gold	4

COMPOUND NPA018965

STRUCTURE

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EXTERNAL LINKS

PROPERTIES

NPAID	NPA018965
CLUSTER ID	69
NODE ID	64
NAME	Ergosterol peroxide
FORMULA	C28H44O3
MOLECULAR WEIGHT (Da)	428.6570
ACCURATE MASS (Da)	428.3290
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Daedalea
ORIGIN SPECIES	quercina
InChIKey	VXOZCESVZIRHCJ-KGHQQZOUSA-N
InChI	InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1
SMILES	C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(CC[C@@H](C5)O)C)OO4)C

ORIGINAL ISOLATION REFERENCE

CITATION	Roesecke, Joachim; Koenig, Wilfried A Constituents of the fungi Daedalea quercina and Daedaleopsis confragosa var. tricolor Phytochemistry 2000 54 (8) 757-762.
DOI	10.1016/s0031-9422(00)00130-8	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Basidiomycota	MycoBank	5204
Class	Agaricomycetes	MycoBank	155619
Order	Polyporales	MycoBank	5303
Family	Fomitopsidaceae	MycoBank	1769247
Genus	Daedalea	MycoBank	40436

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') ]]
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Compounds

COMPOUND NPA018965

STRUCTURE

PROPERTIES

ORIGINAL ISOLATION REFERENCE

ORIGINAL ISOLATION TAXONOMY

CLASSYFIRE

NP CLASSIFIER