Claviceps purpurea (species)

all metabolites associated with this taxon: Claviceps purpurea (species)

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Metabolite Database Reference Structure
Ergotamine

Formula: C33H35N5O5
Exact Mass: 581.2638
Source ID: CNP0293045.2
  • CAS Registry: 113-15-5
  • KEGG: C07544
  • LipidMAPS:
  • BioCYC:
Ergonovine

Formula: C19H23N3O2
Exact Mass: 325.179
Source ID: CNP0176673.2
  • CAS Registry: 60-79-7
  • KEGG: C07543
  • LipidMAPS:
  • BioCYC: CPD-14457
Tyramine

Formula: C8H11NO
Exact Mass: 137.0841
Source ID: CNP0111205.0
  • CAS Registry: 51-67-2
  • KEGG: C00483
  • LipidMAPS:
  • BioCYC: TYRAMINE
Embelin

Formula: C17H26O4
Exact Mass: 294.1831
Source ID: CNP0343908.0
  • CAS Registry: 550-24-3
  • KEGG: C10342
  • LipidMAPS: LMPK15050006
  • BioCYC:
Methylamine

Formula: CH5N
Exact Mass: 31.0422
Source ID: CNP0593707.0
  • CAS Registry: 74-89-5
  • KEGG: C00218
  • LipidMAPS:
  • BioCYC: METHYLAMINE
Acetylcholine

Formula: C7H16NO2
Exact Mass: 146.1181
Source ID: CNP0584438.0
  • CAS Registry: 51-84-3
  • KEGG: C01996
  • LipidMAPS:
  • BioCYC: ACETYLCHOLINE
Secalonic acid B

Formula: C32H30O14
Exact Mass: 638.1635
Source ID: CNP0344189.2
  • CAS Registry: 35287-71-9
  • KEGG:
  • LipidMAPS:
  • BioCYC:
alpha-Ergocryptine

Formula: C32H41N5O5
Exact Mass: 575.3108
Source ID: CNP0200787.1
  • CAS Registry: 511-09-1
  • KEGG: C07545
  • LipidMAPS:
  • BioCYC:
CNP0194131.1

Formula: C45H56O23
Exact Mass: 964.3212
Source ID: CNP0194131.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Vitamin D2

Formula: C28H44O
Exact Mass: 396.3392
Source ID: CNP0114577.4
  • CAS Registry: 50-14-6
  • KEGG: C05441
  • LipidMAPS: LMST03010001
  • BioCYC: VITAMIN_D2
Isosetoclavine

Formula: C16H18N2O
Exact Mass: 254.1419
Source ID: CNP0241639.1
  • CAS Registry: 519-11-9
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Ergothioneine

Formula: C9H15N3O2S
Exact Mass: 229.0885
Source ID: CNP0587131.1
  • CAS Registry: 497-30-3
  • KEGG: C05570
  • LipidMAPS:
  • BioCYC: CPD-15276
Clavorubin

Formula: C16H10O8
Exact Mass: 330.0376
Source ID: CNP0253585.0
  • CAS Registry: 2960-94-3
  • KEGG:
  • LipidMAPS:
  • BioCYC:
(3S,10R,13R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Formula: C28H44O
Exact Mass: 396.3392
Source ID: CNP0274636.3
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Clemaphenol A

Formula: C20H22O6
Exact Mass: 358.1416
Source ID: CNP0310586.1
  • CAS Registry: 362606-60-8
  • KEGG: C17808
  • LipidMAPS:
  • BioCYC:
24,25-Dihydroxyvitamin D

Formula: C27H44O3
Exact Mass: 416.329
Source ID: CNP0343062.2
  • CAS Registry: 40013-87-4
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Histamine

Formula: C5H9N3
Exact Mass: 111.0796
Source ID: CNP0591741.0
  • CAS Registry: 51-45-6
  • KEGG: C00388
  • LipidMAPS:
  • BioCYC: HISTAMINE
Agmatine

Formula: C5H14N4
Exact Mass: 130.1218
Source ID: CNP0572375.0
  • CAS Registry: 306-60-5
  • KEGG: C00179
  • LipidMAPS:
  • BioCYC: AGMATHINE
CNP0557186.1

Formula: C31H41N5O4
Exact Mass: 547.3158
Source ID: CNP0557186.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
beta-Costic acid

Formula: C15H22O2
Exact Mass: 234.162
Source ID: CNP0215633.2
  • CAS Registry: 3650-43-9
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Isopenniclavine

Formula: C16H18N2O2
Exact Mass: 270.1368
Source ID: CNP0331035.2
  • CAS Registry: 478-92-2
  • KEGG:
  • LipidMAPS:
  • BioCYC:
CNP0272689.1

Formula: C31H41N5O5
Exact Mass: 563.3108
Source ID: CNP0272689.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
CNP0170145.1

Formula: C32H41N5O5
Exact Mass: 575.3108
Source ID: CNP0170145.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
(2R,3R,4S,5R)-2-(6-hydroxy-2-imino-3H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Formula: C10H13N5O5
Exact Mass: 283.0917
Source ID: CNP0560283.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Secalonic acid D

Formula: C32H30O14
Exact Mass: 638.1635
Source ID: CNP0116451.3
  • CAS Registry: 35287-69-5
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Isosetoclavine

Formula: C16H18N2O
Exact Mass: 254.1419
Source ID: CNP0241639.2
  • CAS Registry: 519-11-9
  • KEGG:
  • LipidMAPS:
  • BioCYC:
CNP0589370.0

Formula: C8H10O2
Exact Mass: 138.0681
Source ID: CNP0589370.0
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Pennogenin

Formula: C27H42O4
Exact Mass: 430.3083
Source ID: CNP0345800.1
  • CAS Registry: 507-89-1
  • KEGG:
  • LipidMAPS: LMST01080041
  • BioCYC:
Hexyl glucoside

Formula: C12H24O6
Exact Mass: 264.1573
Source ID: CNP0255362.2
  • CAS Registry: 59080-45-4
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Vagusstoff

Formula: C7H17NO3
Exact Mass: 163.1208
Source ID: CNP0482920.0
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC: