anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O is A branched pentasaccharide consisting of a trisaccharide chain of alpha-D-galactose, beta-D-galactose and beta-D-glucose residues linked sequentially (1->3) and (1->4), with alpha-L-fucosyl residues attached by (1->2) and (1->3) linkages to the beta-D-galactose and beta-D-glucose residues respectively. Its functional parent is alpha-L-Fucp-(1->3)-[alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)]-beta-D-Glcp . It is also related to or classified as pentasaccharide .
The molecule NC(=N)c1ccc(OCCCOc2ccc(cc2)C(N)=N)cc1 NC(=N)c1ccc(OCCCOc2ccc(cc2)C(N)=N)cc1 is A polyether that is the bis(4-guanidinophenyl) ether of propane-1,3-diol. Used (as its isethionate salt) for the treatment of minor eye or eyelid infections, such as conjunctivitis and blepharitis. It has the role of antimicrobial agent . It has the role of antiseptic drug . Its functional parent is propane-1,3-diol .   It is also related to or classified as polyether  . It is also related to or classified as guanidines , aromatic ether .
The molecule C(CCCCCCC(=O)NCC(O)=O)CCCCCCCCCCCCCCCCCC C(CCCCCCC(=O)NCC(O)=O)CCCCCCCCCCCCCCCCCC is an N-acylglycine in which the acyl group is specified as hexacosanoyl. It has the role of human urinary metabolite . It has the role of human blood serum metabolite . Its functional parent is hexacosanoic acid . It is a conjugate acid of N-hexacosanoylglycinate . It is also related to or classified as N-acylglycine  . It is also related to or classified as fatty amide .
The molecule CC(=O)Nc1cc(cc2cc(c(N=Nc3ccccc3)c(O)c12)S([O-])(=O)=O)S([O-])(=O)=O CC(=O)Nc1cc(cc2cc(c(N=Nc3ccccc3)c(O)c12)S([O-])(=O)=O)S([O-])(=O)=O is an organosulfonate oxoanion obtained by deprotonation of the sulfo groups of 5-acetamido-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid. It is also related to or classified as organosulfonate oxoanion  .
The molecule [Na+].[Na+].CC(=O)Nc1cc(cc2cc(c(N=Nc3ccccc3)c(O)c12)S([O-])(=O)=O)S([O-])(=O)=O [Na+].[Na+].CC(=O)Nc1cc(cc2cc(c(N=Nc3ccccc3)c(O)c12)S([O-])(=O)=O)S([O-])(=O)=O is an organic sodium salt that is the disodium salt of 5-acetamido-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid. It has the role of histological dye . It is also related to or classified as organic sodium salt .
The molecule C(CCCCCCC(=O)NCC(O)=O)CCCCCCCCCCCCCC C(CCCCCCC(=O)NCC(O)=O)CCCCCCCCCCCCCC is an N-acylglycine in which the acyl group is specified as docosanoyl. It has the role of human urinary metabolite . It has the role of human blood serum metabolite . Its functional parent is docosanoic acid . It is a conjugate acid of N-docosanoylglycinate . It is also related to or classified as N-acylglycine  . It is also related to or classified as fatty amide .
The molecule C(CCCCCCC(=O)NCC(O)=O)CCCCCCCCCCCCCCCC C(CCCCCCC(=O)NCC(O)=O)CCCCCCCCCCCCCCCC is an N-acylglycine in which the acyl group is specified as tetracosanoyl. It has the role of human urinary metabolite . It has the role of human blood serum metabolite . Its functional parent is tetracosanoic acid . It is a conjugate acid of N-tetracosanoylglycinate . It is also related to or classified as N-acylglycine  . It is also related to or classified as fatty amide .
The molecule CC(=O)N[C@@H]1[C@@H](O)C[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]5[C@@H](CO[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)OC(O)[C@H](O)[C@H]5O)[C@@H]4O)[C@@H]3NC(C)=O)[C@H](O)[C@@H](O)[C@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O CC(=O)N[C@@H]1[C@@H](O)C[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]5[C@@H](CO[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)OC(O)[C@H](O)[C@H]5O)[C@@H]4O)[C@@H]3NC(C)=O)[C@H](O)[C@@H](O)[C@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O is A branched amino heptasaccharide consisting of a linear pentasaccharide chain of alpha-sialyl, beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose and D-glucose residues linked sequentially (2->6), (1->3), (1->3) and (1->4), to the galactose residue nearest to the reducing end is also linked (1->6) a beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl disaccharide unit. It is also related to or classified as glucosamine oligosaccharide , amino heptasaccharide .
The molecule Cc1cc2N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C3=NC(=O)NC(=O)C3N3CCC(C)(C)c(c1C)c23 Cc1cc2N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C3=NC(=O)NC(=O)C3N3CCC(C)(C)c(c1C)c23 is A flavin mononucleotide obtained by prenylation of the N-10 position of FMNH2 followed by cyclisation. An essential cofactor for the decarboxylase enzymes UbiD and Fdc1. It has the role of cofactor . It has the role of Escherichia coli metabolite . Its functional parent is FMNH2 . Its functional parent is D-ribitol 5-phosphate . It is a conjugate acid of prenyl-FMNH2(2-) . It is also related to or classified as flavin mononucleotide , organic heterotetracyclic compound .
The molecule [H+].COc1cc2CCN(Cc2cc1OC)C(=O)\C=C\c1c(-c2ccccc2)n(C)c2ncccc12 [H+].COc1cc2CCN(Cc2cc1OC)C(=O)\C=C\c1c(-c2ccccc2)n(C)c2ncccc12 is an ammonium ion resulting from the addition of a proton to the free base of SIS3. It is a conjugate acid of SIS3 free base . It is also related to or classified as ammonium ion derivative .
The molecule COc1cccc(c1)N=Nc1c(O)c2ccc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccc6cc(ccc6c5)S([O-])(=O)=O)c(cc4c3)S([O-])(=O)=O)cc2cc1S([O-])(=O)=O COc1cccc(c1)N=Nc1c(O)c2ccc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccc6cc(ccc6c5)S([O-])(=O)=O)c(cc4c3)S([O-])(=O)=O)cc2cc1S([O-])(=O)=O is an organosulfonate oxoanion obtained by deprotonation of the sulfo groups of benzo scarlet 4BNS free acid. It is also related to or classified as organosulfonate oxoanion  .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)CC[C@@](C)([C@]4(CC[C@@]5([C@@]4(CC[C@@]6([C@]7(CC[C@H](C[C@]7(CC[C@@]56[H])[H])O)C)[H])C)[H])[H])[H])=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)CC[C@@](C)([C@]4(CC[C@@]5([C@@]4(CC[C@@]6([C@]7(CC[C@H](C[C@]7(CC[C@@]56[H])[H])O)C)[H])C)[H])[H])[H])=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O is A member of the class of choloyl-CoAs that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of lithocholic acid. It has the role of human metabolite . Its functional parent is lithocholic acid . It is a conjugate acid of lithocholyl-CoA(4-) . It is also related to or classified as choloyl-CoAs .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)[C@@H](CC)O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)[C@@H](CC)O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is A fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of (R)-2-hydroxybutanoyl-CoA; major species at pH 7.3. It is also related to or classified as fatty acyl-CoA(4-)  .
The molecule C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is an amino oligosaccharide that is a dodecasaccharide derivative in which two alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl tetrasaccharide chains are linked (1->3) and (1->6) to the mannose residue of a beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-[alpha-L-fucosyl-(1->6)]-N-acetyl-D-glucosamine branched tetrasaccharide. It is also related to or classified as glucosamine oligosaccharide , amino oligosaccharide .
The molecule CC(=O)Nc1cc(cc2cc(c(N=Nc3ccccc3)c(O)c12)S(O)(=O)=O)S(O)(=O)=O CC(=O)Nc1cc(cc2cc(c(N=Nc3ccccc3)c(O)c12)S(O)(=O)=O)S(O)(=O)=O is A naphthalenesulfonic acid that is 3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid carrying additional phenyldiazenyl, hydroxy and acetamido substituents at position 3, 4, and 5 respectively. The disodium salt is the biological stain 'azophloxine'. It is a conjugate acid of 5-acetamido-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate .  It is also related to or classified as azobenzenes  . It is also related to or classified as acetamides , naphthols , naphthalenesulfonic acid .
The molecule Cl.COc1cc2CCN(Cc2cc1OC)C(=O)\C=C\c1c(-c2ccccc2)n(C)c2ncccc12 Cl.COc1cc2CCN(Cc2cc1OC)C(=O)\C=C\c1c(-c2ccccc2)n(C)c2ncccc12 is A hydrochloride resulting from the reaction of SIS3 free base with 1 mol eq. of hydrogen chloride. It has the role of Smad3 inhibitor . It is also related to or classified as hydrochloride .
The molecule [Na+].[Na+].[O-]S(=O)(=O)c1ccc(Nc2ccc(cc2)C(=C2C=CC(C=C2)=[NH+]c2ccc(cc2)S([O-])(=O)=O)c2ccc(Nc3ccc(cc3)S([O-])(=O)=O)cc2)cc1 [Na+].[Na+].[O-]S(=O)(=O)c1ccc(Nc2ccc(cc2)C(=C2C=CC(C=C2)=[NH+]c2ccc(cc2)S([O-])(=O)=O)c2ccc(Nc3ccc(cc3)S([O-])(=O)=O)cc2)cc1 is an organic sodium salt that is the trisodium salt of 4,4'-{({4-[(4-sulfophenyl)imino]cyclohexa-2,5-dien-1-ylidene}methylene)bis[(4,1-phenylene)azanediyl]}di(benzene-1-sulfonic acid). A histological dye that can be used either on its own or part of a mixture (aniline blue WS) for staining collagen in Masson's trichrome and Mallory's method for connective tissue. It has the role of fluorochrome . It has the role of histological dye . It is also related to or classified as organic sodium salt .
The molecule COc1cccc(c1)N=Nc1c(O)c2ccc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccc6cc(ccc6c5)S(O)(=O)=O)c(cc4c3)S(O)(=O)=O)cc2cc1S(O)(=O)=O COc1cccc(c1)N=Nc1c(O)c2ccc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccc6cc(ccc6c5)S(O)(=O)=O)c(cc4c3)S(O)(=O)=O)cc2cc1S(O)(=O)=O is A naphthalenesulfonic acid that is the free acid form of the dye benzo scarlet 4BNS. The trisodium salt is a direct cotton dye that is also capable of hydrogen bonding to amyloid and giving a dark enough red colour to be useful in diagnostic histology. It is a conjugate acid of benzo scarlet 4BNS(3-) . It is also related to or classified as azobenzenes  . It is also related to or classified as naphthols , aromatic ether , naphthalenesulfonic acid , ureas , bis(azo) compound .
The molecule [C@]12([C@]([C@]3([C@](CC1)([C@@]4(C(=CC(CC4)=O)C[C@H]3O)C)[H])[H])(CC[C@@]2([C@@H](CCC[C@@H](C)CO)C)[H])[H])C [C@]12([C@]([C@]3([C@](CC1)([C@@]4(C(=CC(CC4)=O)C[C@H]3O)C)[H])[H])(CC[C@@]2([C@@H](CCC[C@@H](C)CO)C)[H])[H])C is an oxysterol that is cholesterol which is substituted by an oxo group at position 3 and hydroxy groups at positions 7alpha and 26. It has R-configuration at position 25. It has the role of human metabolite . It is also related to or classified as 7alpha-hydroxy steroid  .  It is also related to or classified as 3-oxo steroid  . It is also related to or classified as 26-hydroxy steroid , cholestanoid .
The molecule Cc1ccc(Nc2cc(C)c3nc4cc(C)c(N)cc4[n+](-c4ccc(C)cc4)c3c2)cc1 Cc1ccc(Nc2cc(C)c3nc4cc(C)c(N)cc4[n+](-c4ccc(C)cc4)c3c2)cc1 is an organic cation consisting of 1,8-dimethyl-3-(4-methylanilino)phenazine carrying additional 4-methylphenyl and amino substituents at positions 5 and 7 respectively. One of four components of mauvaine, a syntheteic violet-coloured dye. It has the role of histological dye . It is also related to or classified as organic cation , phenazines .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)[C@@H](CC)O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)[C@@H](CC)O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O is A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-2-hydroxybutanoic acid. It is a conjugate acid of (R)-2-hydroxybutanoyl-CoA(4-) . It is also related to or classified as 2-hydroxybutanoyl-CoA  .
The molecule Cc1ccc(Nc2ccc3nc4cc(C)c(N)cc4[n+](-c4ccccc4)c3c2)cc1 Cc1ccc(Nc2ccc3nc4cc(C)c(N)cc4[n+](-c4ccccc4)c3c2)cc1 is an organic cation consisting of 7-(4-methylanilino)phenazine carrying additional methyl, amino and phenyl substituents at positions 2, 3 and 5 respectively. One of four components of mauvaine, a syntheteic violet-coloured dye. It has the role of histological dye . It is also related to or classified as organic cation , phenazines .
The molecule OS(=O)(=O)c1ccc(Nc2ccc(cc2)C(=C2C=CC(C=C2)=Nc2ccc(cc2)S(O)(=O)=O)c2ccc(Nc3ccc(cc3)S(O)(=O)=O)cc2)cc1 OS(=O)(=O)c1ccc(Nc2ccc(cc2)C(=C2C=CC(C=C2)=Nc2ccc(cc2)S(O)(=O)=O)c2ccc(Nc3ccc(cc3)S(O)(=O)=O)cc2)cc1 is an arenesulfonic acid, the disodium salt of which is the histological dye 'methyl blue' (used for staining collagen in Masson's trichrome and Mallory's method for connective tissue). It is a conjugate acid of methyl blue(2-) . It is also related to or classified as imine  . It is also related to or classified as arenesulfonic acid , aromatic amine , secondary amino compound .
The molecule [Na+].[Na+].[Na+].COc1cccc(c1)N=Nc1c(O)c2ccc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccc6cc(ccc6c5)S([O-])(=O)=O)c(cc4c3)S([O-])(=O)=O)cc2cc1S([O-])(=O)=O [Na+].[Na+].[Na+].COc1cccc(c1)N=Nc1c(O)c2ccc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccc6cc(ccc6c5)S([O-])(=O)=O)c(cc4c3)S([O-])(=O)=O)cc2cc1S([O-])(=O)=O is an organic sodium salt that is the trisodium salt of 4-hydroxy-7-[({5-hydroxy-6-[(3-methoxyphenyl)diazenyl]-7-sulfonaphthalen-2-yl}carbamoyl)amino]-3-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid. A direct cotton dye that is also capable of hydrogen bonding to amyloid and giving a dark enough red colour to be useful in diagnostic histology. It has the role of histological dye . It is also related to or classified as organic sodium salt .
The molecule CCOCCCO CCOCCCO is A hydroxyether that is propan-1-ol substituted by an ethoxy group at position 3. It has the role of metabolite . It is also related to or classified as propan-1-ols  . It is also related to or classified as hydroxyether  .
The molecule CCCCCCCC(=O)OCCCCCC CCCCCCCC(=O)OCCCCCC is an octanoate ester obtained by the formal condensation of octanoic acid  with hexan-1-ol. It has the role of plant metabolite . Its functional parent is hexan-1-ol . It is also related to or classified as octanoate ester  .
The molecule [O-]C(=O)C[C@H](\C=C\C(=O)C([O-])=O)C([O-])=O [O-]C(=O)C[C@H](\C=C\C(=O)C([O-])=O)C([O-])=O is A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of (2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylic acid; major species at pH 7.3. It is also related to or classified as tricarboxylic acid trianion .
The molecule OC(=O)C[C@H](\C=C\C(=O)C(O)=O)C(O)=O OC(=O)C[C@H](\C=C\C(=O)C(O)=O)C(O)=O is A tricarboxylic acid that is pent-3-ene-1,2,5-tricarboxylic acid carrying an oxo substituent at position 5 (the 2R,3E-stereoisomer). It is a conjugate acid of (2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylate . It is also related to or classified as tricarboxylic acid .
The molecule Cc1cc2N(C[C@H](O)[C@H](O)[C@H](O)COP([O-])([O-])=O)C3=NC(=O)NC(=O)C3N3CCC(C)(C)c(c1C)c23 Cc1cc2N(C[C@H](O)[C@H](O)[C@H](O)COP([O-])([O-])=O)C3=NC(=O)NC(=O)C3N3CCC(C)(C)c(c1C)c23 is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of prenyl-FMNH2; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule COc1cc(ccc1[N+]#N)[N+]([O-])=O COc1cc(ccc1[N+]#N)[N+]([O-])=O is the aromatic diazonium ion formed from diazotisation of 2-methoxy-4-nitroaniline. The 5-sulfonaphthalene-1-sulfonate salt is the biological stain 'fast red B'. It is also related to or classified as aromatic diazonium ion .
The molecule COc1cc(ccc1[N+]#N)[N+]([O-])=O.OS(=O)(=O)c1cccc2c(cccc12)S([O-])(=O)=O COc1cc(ccc1[N+]#N)[N+]([O-])=O.OS(=O)(=O)c1cccc2c(cccc12)S([O-])(=O)=O is an organosulfonate salt composed from 2-methoxy-4-nitrobenzene-1-diazonium and 5-sulfonaphthalene-1-sulfonate in a 1:1 ratio. Used for demostrating enterochromaffin in carcinoid tumours. It has the role of histological dye . It is also related to or classified as organosulfonate salt .
The molecule Cc1ccc(Nc2ccc3nc4cc(C)c(N)cc4[n+](-c4ccc(C)cc4)c3c2)cc1 Cc1ccc(Nc2ccc3nc4cc(C)c(N)cc4[n+](-c4ccc(C)cc4)c3c2)cc1 is an organic cation consisting of 7-(4-methylanilino)phenazine carrying additional methyl, amino and 4-methylphenyl substituents at positions 2, 3 and 5 respectively. One of four components of mauvaine, a syntheteic violet-coloured dye. It has the role of histological dye . It is also related to or classified as organic cation , phenazines .
The molecule CC=[N+]=[N-] CC=[N+]=[N-] is A diazo compound in which the diazo group is attached to an  ethylidene group. It has the role of metabolite . It is also related to or classified as diazo compound .
The molecule CCCCCCCCOC(C)=O CCCCCCCCOC(C)=O is the acetate ester of octan-1-ol. It has the role of plant metabolite . Its functional parent is octan-1-ol . It is also related to or classified as acetate ester  .
The molecule CCCCCCCCOC=O CCCCCCCCOC=O is A formate ester of  octan-1-ol. It has the role of metabolite . Its functional parent is octan-1-ol . It is also related to or classified as formate ester .
The molecule C(CCCCCCC)CCCO C(CCCCCCC)CCCO is A primary alcohol that is undecane substituted by a hydroxy group at position 1. It has the role of flavouring agent . It has the role of plant metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as undecanol .
The molecule COC(=O)CCCCCCCCC=C COC(=O)CCCCCCCCC=C is A fatty acid methyl ester of 10-undecenoic acid. It has the role of metabolite . Its functional parent is 10-undecenoic acid . It is also related to or classified as fatty acid methyl ester  .
The molecule CCCCCCCCCCCC(=O)OC CCCCCCCCCCCC(=O)OC is A fatty acid methyl ester of lauric acid. It has the role of metabolite . It is also related to or classified as fatty acid methyl ester  . It is also related to or classified as dodecanoate ester  .
The molecule C(=C\C=C(\C(O)=O)/O)\CC(O)=O C(=C\C=C(\C(O)=O)/O)\CC(O)=O is A dicarboxylic acid that is 2-hydroxyhepta-2,4-diene in which the two terminal methyl groups are replaced by carboxy groups (the 2Z,4Z-geoisomer). It is a conjugate acid of (2Z,4Z)-2-hydroxyhepta-2,4-dienedioate .   It is also related to or classified as enol  . It is also related to or classified as polyunsaturated dicarboxylic acid , dicarboxylic fatty acid .
The molecule Brc1ccc(cc1)C1CC1 Brc1ccc(cc1)C1CC1 is A member of the class of bromobenzenes that is bromobenzene substituted by a cyclopropyl group at position 4. It has the role of metabolite . It is also related to or classified as bromobenzenes , cyclopropanes .
The molecule CC1SCCC1=O CC1SCCC1=O is A member of the class of tetrahydrothiophenes that is thiolane substituted by a methyl group at position 2 and an oxo group at position 3 respectively. It has the role of metabolite . It has the role of flavouring agent . It is also related to or classified as cyclic ketone , tetrahydrothiophenes .
The molecule CC(C)=CCCN CC(C)=CCCN is an alkylamine that is pent-3-en-1-amine substituted by a methyl group ay position 4. It has the role of metabolite . It is also related to or classified as alkylamine  . It is also related to or classified as olefinic compound .
The molecule CC(=O)CC=C CC(=O)CC=C is A methyl ketone that is pent-1-ene substituted by an oxo group at position 4. It has the role of metabolite . It is also related to or classified as methyl ketone , olefinic compound .
The molecule Cc1ccc(Nc2cc(C)c3nc4cc(C)c(N)cc4[n+](-c4ccccc4)c3c2)cc1 Cc1ccc(Nc2cc(C)c3nc4cc(C)c(N)cc4[n+](-c4ccccc4)c3c2)cc1 is an organic cation consisting of 1,8-dimethyl-3-(4-methylanilino)phenazine carrying additional phenyl and amino substituents at positions 5 and 7 respectively. One of four components of mauvaine, a syntheteic violet-coloured dye. It has the role of histological dye . It is also related to or classified as organic cation , phenazines .
The molecule CCCCCCCCCOC(C)=O CCCCCCCCCOC(C)=O is the acetate ester of nonan-1-ol. It has the role of metabolite . Its functional parent is nonan-1-ol . It is also related to or classified as acetate ester  .
The molecule CCCCCCOC(C)=O CCCCCCOC(C)=O is the acetate ester of  hexan-1-ol. It has the role of metabolite . Its functional parent is hexan-1-ol . It is also related to or classified as acetate ester  .
The molecule C(=C\CC(C([O-])=O)=O)\CC([O-])=O C(=C\CC(C([O-])=O)=O)\CC([O-])=O is A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (4Z)-2-oxohept-4-enedioic acid; major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion  .
The molecule CCCCCCCCC(=O)OCC CCCCCCCCC(=O)OCC is A fatty acid ethyl ester of nonanoic acid. It has the role of metabolite . Its functional parent is nonanoic acid . It is also related to or classified as fatty acid ethyl ester  .
The molecule CCOC(=O)C(O)Cc1ccccc1 CCOC(=O)C(O)Cc1ccccc1 is A carboxylic ester obtained by the formal condensation of the carboxy group of 3-hydroxy-3-phenylpropionic acid with ethanol. It has the role of metabolite . Its functional parent is 3-hydroxy-3-phenylpropionic acid .  It is also related to or classified as carboxylic ester  . It is also related to or classified as benzenes .
The molecule CC(C)C(C)CC=C CC(C)C(C)CC=C is an alkene that is hex-1-ene substituted by methyl groups at positions 4 and 5 respectively. It has the role of metabolite . It is also related to or classified as alkene  .
The molecule C(=C\CC(C(O)=O)=O)\CC(O)=O C(=C\CC(C(O)=O)=O)\CC(O)=O is an oxo dicarboxylic acid that is (4Z)-hept-4-enedioic acid substituted at position 2 by an oxo group. It is a conjugate acid of (4Z)-2-oxohept-4-enedioate . It is also related to or classified as dicarboxylic fatty acid , oxo dicarboxylic acid , olefinic compound .
The molecule CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC is A sialotriaosylceramide consisting of the pentasaccharide beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc attached to the primary hydroxy function of a ceramide in which the acyl function on nitrogen is stearoyl. It is also related to or classified as beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer  . It is also related to or classified as sialotriaosylceramide .