Browse Metabolites / pineapple (Ananas comosus)
A total of 182 metabolites have been identified from pineapple (Ananas comosus)
ID
molecular formula
molecular weight
SMILES
Met007343
C48H76O19
957.1
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C
ID
molecular formula
molecular weight
SMILES
Met008214
C27H30O6
450.5
CC(=CCOC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)OCC=C(C)C)OCC(=O)O)C
ID
molecular formula
molecular weight
SMILES
Met005209
C27H30Cl2O6
521.4
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C
ID
molecular formula
molecular weight
SMILES
Met000740
C10H17N3O6S
307.33
C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
ID
molecular formula
molecular weight
SMILES
Met008509
C9H11NO3
181.19
C1C(C2=CC(=C(C=C2CN1)O)O)O
ID
molecular formula
molecular weight
SMILES
Met001539
C15H24O3
252.35
CC1=CC(=O)C(CC1)C(C)(CC=CC(C)(C)O)O
ID
molecular formula
molecular weight
SMILES
Met000638
C33H58O14
678.8
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)O
ID
molecular formula
molecular weight
SMILES
Met006454
C23H42NO7P
475.6
CCC=CCC=CCC=CCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN
ID
molecular formula
molecular weight
SMILES
Met010100
C53H84O23
1089.2
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)C)CCC5(C4CC(C6=C7C(C8(CCC7(CCC65C)C(=O)O8)C)(C)O)O)C)C)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)O
ID
molecular formula
molecular weight
SMILES
Met000669
C25H38ClNO5
468
CCCCCCCC(CC=CCCC(=O)NCC(=CCl)CC1=CC(=CC(=O)O1)OC)OC