Natural Products Atlas

Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00000478080	Silver	Pseurotin&A_120184
CCMSLIB00004688738	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004688739	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711503	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711504	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711505	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711506	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711507	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711508	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711509	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711510	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711511	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711512	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711513	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711514	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711515	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711516	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00004711517	Bronze	(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
CCMSLIB00000853898	Gold	1!CCMSLIB00000853900
CCMSLIB00012131091	Gold	4
CCMSLIB00009970888	Gold	4
CCMSLIB00012132678	Gold	4
CCMSLIB00012132679	Gold	4
CCMSLIB00012132680	Gold	4
CCMSLIB00012132677	Gold	4
CCMSLIB00009972475	Gold	4
CCMSLIB00009972476	Gold	4
CCMSLIB00009972477	Gold	4
CCMSLIB00009972474	Gold	4

COMPOUND NPA018914

STRUCTURE

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

EXTERNAL LINKS

PROPERTIES

NPAID	NPA018914
CLUSTER ID	1770
NODE ID	1435
NAME	Pseurotin A2
FORMULA	C22H25NO8
MOLECULAR WEIGHT (Da)	431.4410
ACCURATE MASS (Da)	431.1580
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	fumigatus WFZ-25
InChIKey	SLYDIPAXCVVRNY-MKHCCXHLSA-N
InChI	InChI=1S/C22H25NO8/c1-4-5-11-14(24)15(25)16-12(2)17(26)21(31-16)19(28)22(30-3,23-20(21)29)18(27)13-9-7-6-8-10-13/h5-11,14-15,19,24-25,28H,4H2,1-3H3,(H,23,29)/b11-5-/t14-,15-,19+,21-,22+/m0/s1
SMILES	CC/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@@]2(O1)C(=O)N[C@@](OC)(C(=O)C1=CC=CC=C1)[C@@H]2O

ORIGINAL ISOLATION REFERENCE

CITATION	Wang, Fa-Zuo; Li, De-Hai; Zhu, Tian-Jiao; Zhang, Min; Gu, Qian-Qun Pseurotin A1 and A2, two new 1-oxa-7-azaspiro [4.4] non-2-ene-4, 6-diones from the holothurian-derived fungus Aspergillus fumigatus WFZ-25 Canadian Journal of Chemistry 2010 89 (1) 72-76.
DOI	10.1139/v10-157	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Eurotiales	MycoBank	5042
Family	Aspergillaceae	MycoBank	1131492
Genus	Aspergillus	MycoBank	5052

REVISIONS

VERSION	SMILES	CITATION
Original Isolation	CC/C=C\[C@@H]([C@@H](C1=C(C(=O)[C@@]2(O1)[C@@H]([C@](NC2=O)(C(=O)C3=CC=CC=C3)OC)O)C)O)O	Wang, Fa-Zuo; Li, De-Hai; Zhu, Tian-Jiao; Zhang, Min; Gu, Qian-Qun Pseurotin A1 and A2, two new 1-oxa-7-azaspiro [4.4] non-2-ene-4, 6-diones from the holothurian-derived fungus Aspergillus fumigatus WFZ-25 Canadian Journal of Chemistry 2010 89 (1) 72-76. DOI: 10.1139/v10-157
2	CC/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@@]2(O1)C(=O)N[C@@](OC)(C(=O)C1=CC=CC=C1)[C@@H]2O	Jachak, Gorakhnath R; Tharra, Prabhakara R; Sevelda, Petr; Švenda, Jakub Stereocontrolled Synthesis of Pseurotin A<sub>2</sub>. Journal of Organic Chemistry 2021 86 (17) 11845-11861. DOI: 10.1021/acs.joc.1c01152 PMID: 34378926

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Compounds

COMPOUND NPA018914

STRUCTURE

PROPERTIES

ORIGINAL ISOLATION REFERENCE

ORIGINAL ISOLATION TAXONOMY

REVISIONS

CLASSYFIRE

NP CLASSIFIER