Capsella bursa-pastoris (species)

all metabolites associated with this taxon: Capsella bursa-pastoris (species)

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Metabolite Database Reference Structure
Kaempferide

Formula: C16H12O6
Exact Mass: 300.0634
Source ID: CNP0291526.0
  • CAS Registry: 491-54-3
  • KEGG: C10098
  • LipidMAPS: LMPK12110563
  • BioCYC: CPD-7252
Aromatic aldehyde

Formula: C7H6O
Exact Mass: 106.0419
Source ID: CNP0105179.0
  • CAS Registry: 100-52-7
  • KEGG: C00193
  • LipidMAPS:
  • BioCYC: BENZALDEHYDE
Allyl isothiocyanate

Formula: C4H5NS
Exact Mass: 99.0143
Source ID: CNP0329428.0
  • CAS Registry: 57-06-7
  • KEGG: C19317
  • LipidMAPS:
  • BioCYC: CPD-19501
Geranial

Formula: C10H16O
Exact Mass: 152.1201
Source ID: CNP0127332.0
  • CAS Registry: 141-27-5
  • KEGG: C01499
  • LipidMAPS: LMPR0102010003
  • BioCYC: GERANIAL
Phenylethyl alcohol

Formula: C8H10O
Exact Mass: 122.0732
Source ID: CNP0402269.0
  • CAS Registry: 60-12-8
  • KEGG: C05853
  • LipidMAPS:
  • BioCYC: CPD-7035
Hexa-trans-2-cis-4-dien-1-al

Formula: C6H8O
Exact Mass: 96.0575
Source ID: CNP0182801.0
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
3-Methylbutanol

Formula: C5H12O
Exact Mass: 88.0888
Source ID: CNP0115711.0
  • CAS Registry: 123-51-3
  • KEGG: C07328
  • LipidMAPS: LMFA05000108
  • BioCYC: CPD-7032
Fumarate

Formula: C4H4O4
Exact Mass: 116.011
Source ID: CNP0289193.0
  • CAS Registry: 110-17-8
  • KEGG: C00122
  • LipidMAPS:
  • BioCYC: FUM
beta-Ionone

Formula: C13H20O
Exact Mass: 192.1514
Source ID: CNP0261884.0
  • CAS Registry: 79-77-6
  • KEGG: C12287
  • LipidMAPS:
  • BioCYC: CPD-7204
Pentanal

Formula: C5H10O
Exact Mass: 86.0732
Source ID: CNP0361186.0
  • CAS Registry: 110-62-3
  • KEGG:
  • LipidMAPS: LMFA06000251
  • BioCYC: CPD-9053
Ribitol

Formula: C5H12O5
Exact Mass: 152.0685
Source ID: CNP0264488.1
  • CAS Registry: 488-81-3
  • KEGG: C00474
  • LipidMAPS:
  • BioCYC: RIBITOL
Dimethyl disulfide

Formula: C2H6S2
Exact Mass: 93.9911
Source ID: CNP0600942.0
  • CAS Registry: 624-92-0
  • KEGG: C08371
  • LipidMAPS:
  • BioCYC: CPD-19232
Pyruvate

Formula: C3H4O3
Exact Mass: 88.016
Source ID: CNP0269827.0
  • CAS Registry: 127-17-3
  • KEGG: C00022
  • LipidMAPS: LMFA01060077
  • BioCYC: PYRUVATE
Tyramine

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

Formula: C9H14O
Exact Mass: 138.1045
Source ID: CNP0210535.0
  • CAS Registry: 3777-69-3
  • KEGG:
  • LipidMAPS:
  • BioCYC:
1-Octanol

Formula: C8H18O
Exact Mass: 130.1358
Source ID: CNP0368614.0
  • CAS Registry: 111-87-5
  • KEGG: C00756
  • LipidMAPS: LMFA05000130
  • BioCYC: OCTANOL
2-Undecanone

Formula: C11H22O
Exact Mass: 170.1671
Source ID: CNP0310446.0
  • CAS Registry: 112-12-9
  • KEGG: C01875
  • LipidMAPS: LMFA12000002
  • BioCYC: 2-UNDECANONE
Acetylcholine

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

Formula: C15H10O7
Exact Mass: 302.0427
Source ID: CNP0163085.0
  • CAS Registry: 490-31-3
  • KEGG: C10177
  • LipidMAPS: LMPK12111577
  • BioCYC:
Methyl allyl disulfide

Formula: C4H8S2
Exact Mass: 120.0067
Source ID: CNP0333880.0
  • CAS Registry: 2179-58-0
  • KEGG: C08383
  • LipidMAPS:
  • BioCYC:
beta-Cyclocitral

Formula: C10H16O
Exact Mass: 152.1201
Source ID: CNP0108027.0
  • CAS Registry: 432-25-7
  • KEGG: C20425
  • LipidMAPS:
  • BioCYC: CPD-21186
Mannitol

Formula: C6H14O6
Exact Mass: 182.079
Source ID: CNP0190948.1
  • CAS Registry: 69-65-8
  • KEGG: C00392
  • LipidMAPS:
  • BioCYC: MANNITOL
Salutaridine

Formula: C19H21NO4
Exact Mass: 327.1471
Source ID: CNP0305859.1
  • CAS Registry: 1936-18-1
  • KEGG: C05179
  • LipidMAPS:
  • BioCYC: SALUTARIDINE
2,5-di-tert-Butyl-1,4-benzoquinone

Formula: C14H20O2
Exact Mass: 220.1463
Source ID: CNP0260127.0
  • CAS Registry: 2460-77-7
  • KEGG:
  • LipidMAPS:
  • BioCYC:
1-Hexanol

Formula: C6H14O
Exact Mass: 102.1045
Source ID: CNP0317600.0
  • CAS Registry: 111-27-3
  • KEGG: C00854
  • LipidMAPS: LMFA05000117
  • BioCYC: HEXANOL-CMPD
CNP0596536.0

Formula: C6H10O
Exact Mass: 98.0732
Source ID: CNP0596536.0
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Isocrotonic acid

Formula: C4H6O2
Exact Mass: 86.0368
Source ID: CNP0379669.0
  • CAS Registry: 503-64-0
  • KEGG:
  • LipidMAPS: LMFA01030194
  • BioCYC:
CNP0447027.1

Formula: C27H42O10S
Exact Mass: 558.2499
Source ID: CNP0447027.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Methylacetoacetic acid

Formula: C5H8O3
Exact Mass: 116.0473
Source ID: CNP0086286.0
  • CAS Registry: 105-45-3
  • KEGG:
  • LipidMAPS:
  • BioCYC:
CNP0244192.1

Formula: C32H52O13S
Exact Mass: 676.3128
Source ID: CNP0244192.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC: