Natural Products Atlas

Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00004689182	Bronze	6-[(3E,6E)-2,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
CCMSLIB00004714203	Bronze	6-[(3E,6E)-2,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
CCMSLIB00004714204	Bronze	6-[(3E,6E)-2,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
CCMSLIB00004714205	Bronze	6-[(3E,6E)-2,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
CCMSLIB00004714206	Bronze	6-[(3E,6E)-2,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
CCMSLIB00004714207	Bronze	6-[(3E,6E)-2,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
CCMSLIB00004714208	Bronze	6-[(3E,6E)-2,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
CCMSLIB00004714209	Bronze	6-[(3E,6E)-2,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
CCMSLIB00004714210	Bronze	6-[(3E,6E)-2,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
CCMSLIB00004714211	Bronze	6-[(3E,6E)-2,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
CCMSLIB00004714212	Bronze	6-[(3E,6E)-2,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
CCMSLIB00004714213	Bronze	6-[(3E,6E)-2,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
CCMSLIB00004714214	Bronze	6-[(3E,6E)-2,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
CCMSLIB00004714215	Bronze	6-[(3E,6E)-2,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
CCMSLIB00004714216	Bronze	6-[(3E,6E)-2,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
CCMSLIB00004714217	Bronze	6-[(3E,6E)-2,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
CCMSLIB00004689181	Bronze	6-[(3E,6E)-2,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
CCMSLIB00005489595	Gold	3
CCMSLIB00005489592	Gold	3
CCMSLIB00005489593	Gold	3
CCMSLIB00005489594	Gold	3
CCMSLIB00005489591	Gold	3

COMPOUND NPA021459

STRUCTURE

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

EXTERNAL LINKS

PROPERTIES

NPAID	NPA021459
CLUSTER ID	3186
NODE ID	2426
NAME	Penicyrone A
FORMULA	C24H34O7
MOLECULAR WEIGHT (Da)	434.5290
ACCURATE MASS (Da)	434.2305
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	sp. TPU1271
InChIKey	YAEGHQJYDLCTMR-WMYFJUEFSA-N
InChI	InChI=1S/C24H34O7/c1-12(10-22(6,27)19-14(3)18(28-9)15(4)20(26)29-19)17(25)13(2)11-23(7)21-24(8,31-21)16(5)30-23/h10-11,16-17,21,25,27H,1-9H3/t16-,17-,21+,22+,23+,24-/m1/s1
SMILES	C[C@@H]1[C@@]2([C@@H](O2)[C@](O1)(C)C=C(C)[C@@H](C(=C[C@@](C)(C3=C(C(=C(C(=O)O3)C)OC)C)O)C)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Bu, Ying-Yue; Yamazaki, Hiroyuki; Takahashi, Ohgi; Kirikoshi, Ryota; Ukai, Kazuyo; Namikoshi, Michio Penicyrones A and B, an epimeric pair of α-pyrone-type polyketides produced by the marine-derived Penicillium sp. Journal of Antibiotics 2016 69 (1) 57-61.
DOI	10.1038/ja.2015.82	PMID	26243556

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	Penicillium	MycoBank	5073

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') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

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Compounds

COMPOUND NPA021459

STRUCTURE

PROPERTIES

ORIGINAL ISOLATION REFERENCE

ORIGINAL ISOLATION TAXONOMY

CLASSYFIRE

NP CLASSIFIER