anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(\C=C\C=C(C)\C=C\C1=C(C)C(=O)C(=O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)C(=O)CC1(C)C CC(\C=C\C=C(C)\C=C\C1=C(C)C(=O)C(=O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)C(=O)CC1(C)C is A carotenone that consists of beta,beta-carotene bearing four oxo substituents at positions 2, 2', 4 and 4'. It is also related to or classified as carotenone .
The molecule O=C(O)/C=C/C=C/[C@@H]1[C@@H]2[C@@H](C=C[C@@H]1C)CC(C(=O)O)C[C@H]2C O=C(O)/C=C/C=C/[C@@H]1[C@@H]2[C@@H](C=C[C@@H]1C)CC(C(=O)O)C[C@H]2C is Tanzawaic acid F. It is also related to or classified as medium-chain fatty acid  .
The molecule O=C1O[C@H](CCC[C@H]([C@]2([C@H]3C1=C(O[C@H]3[C@@H](O)CC2=O)/C=C/C=C/C=C/C(=O)O)O)O)C O=C1O[C@H](CCC[C@H]([C@]2([C@H]3C1=C(O[C@H]3[C@@H](O)CC2=O)/C=C/C=C/C=C/C(=O)O)O)O)C is Dictyophaeric acid B. It is also related to or classified as medium-chain fatty acid  .
The molecule [Cl-].[H]C(Cl)=C([H])C[N+]12CN3CN(CN(C3)C1)C2 [Cl-].[H]C(Cl)=C([H])C[N+]12CN3CN(CN(C3)C1)C2 is A quaternary ammonium salt derived from hexamethylenetetramine; used as a preservative in many cosmetics and industrial substances. Also acts as a disinfectant and allergenic agent. It has the role of antibacterial agent . It has the role of disinfectant . It has the role of allergen . It has the role of hapten . Its functional parent is hexamethylenetetramine .  It is also related to or classified as organochlorine compound  . It is also related to or classified as quaternary ammonium salt .
The molecule O=C1O[C@H](CCCC(=O)CCC[C@@H]2[C@@H](C=3C1=C(O)C=C(O)C3)O2)C O=C1O[C@H](CCCC(=O)CCC[C@@H]2[C@@H](C=3C1=C(O)C=C(O)C3)O2)C is (2R,4R,12S)-16,18-dihydroxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),16,18-triene-8,14-dione. It is also related to or classified as macrolide  . It is also related to or classified as resorcinols .
The molecule OC(=O)Cc1ccccc1N=C1C(Cl)=CC(=O)C=C1Cl OC(=O)Cc1ccccc1N=C1C(Cl)=CC(=O)C=C1Cl is A quinone imine that is a metabolite of diclofenac arising from 4'-hydroxylation followed by oxidation. It has the role of metabolite . Its functional parent is diclofenac . It is also related to or classified as organochlorine compound  . It is also related to or classified as quinone imine .
The molecule O=C1OC(=O)C(=C1/C=C/CC)CC(/C=C(\C(=O)O)/C(C(=O)O)CCC(=O)O)CC O=C1OC(=O)C(=C1/C=C/CC)CC(/C=C(\C(=O)O)/C(C(=O)O)CCC(=O)O)CC is 7-(4-But-1-enyl-2,5-dioxo-2,5-dihydro-furan-3-ylmethyl)-4,5-dicarboxy-non-5-enoic acid. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CC(C)=CCC\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(CO)/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O CC(C)=CCC\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(CO)/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O is A carotenol that consists of 1,2-dihydro-psi,psi-carotene bearing two hydroxy substituents at positions 1 and 20. It is also related to or classified as carotenol .
The molecule O=C/1N2[C@H](OCC)CC[C@H]2C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C O=C/1N2[C@H](OCC)CC[C@H]2C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C is Aspamide A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O=C1/C(/C(O)=C(C)C([C@]1(O)C)=O)=C(/O)\C=C\C=C\C O=C1/C(/C(O)=C(C)C([C@]1(O)C)=O)=C(/O)\C=C\C=C\C is Oxosorbicillinol.  It is also related to or classified as quinone  . It is also related to or classified as benzoquinones .
The molecule O=C1C2=C(C(=O)C3=C1[C@@]4(O)[C@](O)(CC(C)=C[C@@H]4O[C@@H]5O[C@H]([C@@H](O)[C@@H](C5)OC)C)[C@H]([C@H]3O)OC(=O)C)C(O)=C([C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@@H](NC(=O)N)CC8)C)[C@](C7)(O)C)C)C)C=C2 O=C1C2=C(C(=O)C3=C1[C@@]4(O)[C@](O)(CC(C)=C[C@@H]4O[C@@H]5O[C@H]([C@@H](O)[C@@H](C5)OC)C)[C@H]([C@H]3O)OC(=O)C)C(O)=C([C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@@H](NC(=O)N)CC8)C)[C@](C7)(O)C)C)C)C=C2 is P371A1.  It is also related to or classified as glycoside  . It is also related to or classified as anthraquinone .
The molecule C[C@@](O)(CC(O)=O)CC(=O)OC[C@H]1O[C@@H](Oc2cc3C[C@@H](C([O-])=O)\[N+](=C/C=C4C[C@H](NC(=C\4)C(O)=O)C(O)=O)c3cc2O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@@H](O)[C@@H]1O C[C@@](O)(CC(O)=O)CC(=O)OC[C@H]1O[C@@H](Oc2cc3C[C@@H](C([O-])=O)\[N+](=C/C=C4C[C@H](NC(=C\4)C(O)=O)C(O)=O)c3cc2O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@@H](O)[C@@H]1O is Iresinin I. Its functional parent is betanidin .  It is also related to or classified as glycoside  . It is also related to or classified as betalain .
The molecule CC(\C=C\C=C(/C)C1OC2(C)CC(O)CC(C)(C)C2=C1)=C/C=C/C=C(C)/C=C/C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1 CC(\C=C\C=C(/C)C1OC2(C)CC(O)CC(C)(C)C2=C1)=C/C=C/C=C(C)/C=C/C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1 is an epoxycarotenol that consists of 5,6,5',8'-tetrahydro-beta,beta-carotene-3,3'-diol having epoxy groups at the 5,8- and 5',8'-positions. It is also related to or classified as epoxycarotenol .
The molecule [Ir] [Ir] is iridium atom. It is also related to or classified as cobalt group element atom , platinum group metal atom .
The molecule O=C(OCCCCCCCCCC(C)C)C1=C(N)C=CC(=C1)O O=C(OCCCCCCCCCC(C)C)C1=C(N)C=CC(=C1)O is BU-4601 C. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule Cl.CN[C@@H](C)Cc1ccccc1 Cl.CN[C@@H](C)Cc1ccccc1 is A hydrochloride having methamphetamine as the base component. It is also related to or classified as hydrochloride .
The molecule O=C1OC([C@@]2(C(=C)[C@]34O[C@@]56C(=O)O[C@@]([C@H]3OC(=O)C)(C)C([C@@]6([C@@]4(C)[C@@H](C2)OC(=O)C)C(=O)O[C@@H]5C)=C)C=C1)(C)C O=C1OC([C@@]2(C(=C)[C@]34O[C@@]56C(=O)O[C@@]([C@H]3OC(=O)C)(C)C([C@@]6([C@@]4(C)[C@@H](C2)OC(=O)C)C(=O)O[C@@H]5C)=C)C=C1)(C)C is Acetoxydehydroaustin B. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule [Pt] [Pt] is platinum. It is also related to or classified as nickel group element atom , platinum group metal atom .
The molecule CC(\C=C\C=C(C)\C=C\C12OC1(C)CC(O)CC2(C)C)=C/C=C/C=C(C)/C=C/C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1 CC(\C=C\C=C(C)\C=C\C12OC1(C)CC(O)CC2(C)C)=C/C=C/C=C(C)/C=C/C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1 is an epoxycarotenol that consists of 5,6,5',8'-tetrahydro-beta,beta-carotene-3,3'-diol having epoxy groups at the 5,6- and 5',8'-positions. It is also related to or classified as epoxycarotenol .
The molecule O=C1NC=2C(C(=O)[C@H]3OC3(C)C)=CC=CC2[C@]14C([C@@]5(O)C[C@H]6C[C@H](OC(=O)[C@@H](NC)C(C)C)C[C@@H](N6C[C@@]5(C4)NC)C)(C)C O=C1NC=2C(C(=O)[C@H]3OC3(C)C)=CC=CC2[C@]14C([C@@]5(O)C[C@H]6C[C@H](OC(=O)[C@@H](NC)C(C)C)C[C@@H](N6C[C@@]5(C4)NC)C)(C)C is Citrinadin C. Its functional parent is delta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C([O-])=O [H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C([O-])=O is the anion resulting from the removal of a proton from the carboxylic acid group of cephalexin. It is also related to or classified as cephalosporin carboxylic acid anion .
The molecule CCN(CC)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)CC)c1cc(O)c(cc1S(O)(=O)=O)S(O)(=O)=O CCN(CC)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)CC)c1cc(O)c(cc1S(O)(=O)=O)S(O)(=O)=O is an iminium ion that is a dark bluish synthetic dye used as a food colouring agent. It has the role of dye . It has the role of allergen . It is also related to or classified as iminium ion .
The molecule [H]N1[C@@H](Cc2ccc(OC)cc2)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)O[C@@H](C[C@@H](C)C[C@H](O)[C@H](C)C2=N[C@H](CS2)\C=C(C)\C1=O)C(C)(C)C [H]N1[C@@H](Cc2ccc(OC)cc2)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)O[C@@H](C[C@@H](C)C[C@H](O)[C@H](C)C2=N[C@H](CS2)\C=C(C)\C1=O)C(C)(C)C is an aprotoxin having the common aprotoxin cyclodepsipeptide skeleton where the isoleucyl residue carries an N-methyl substituent and the side-chain adjacent to the lactone is tert-butyl. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as apratoxin  . It is also related to or classified as 1,3-thiazoles .
The molecule O=C(O[C@H](CC(=O)OC)C)C1=C(O)C=C(O)C=C1C[C@H](OC(=O)C[C@H](OC(=O)C[C@@H](O)CO)C)C O=C(O[C@H](CC(=O)OC)C)C1=C(O)C=C(O)C=C1C[C@H](OC(=O)C[C@H](OC(=O)C[C@@H](O)CO)C)C is Talapolyester C. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule O.[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(O)=O O.[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(O)=O is A hydrate of cephalexin consisting of equimolar amounts of hydrate and cephalexin. It has the role of antibacterial drug . It is also related to or classified as hydrate .
The molecule O=C1N2[C@@H](C(=O)N[C@H]1CC(C)C)C[C@H](C2)O O=C1N2[C@@H](C(=O)N[C@H]1CC(C)C)C[C@H](C2)O is Cyclo(4-hydroxy-R-Pro-S-Leu). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule NC(=O)c1cc(Br)c(O)c(Br)c1 NC(=O)c1cc(Br)c(O)c(Br)c1 is A member of the class of benzamides carrying two bromo substituents at positions 3 and 5 as well as a hydroxy substituent at position 4. It has the role of xenobiotic metabolite .  It is also related to or classified as phenols  . It is also related to or classified as dibromobenzene  . It is also related to or classified as benzamides .
The molecule S1C(=N[C@](C1)(C(=O)O)C)C([C@H](O)[C@H]2N([C@@H]([C@@H]3N=C(C4=C(O)C=CC=C4CCCCC)SC3)SC2)C)(C)C S1C(=N[C@](C1)(C(=O)O)C)C([C@H](O)[C@H]2N([C@@H]([C@@H]3N=C(C4=C(O)C=CC=C4CCCCC)SC3)SC2)C)(C)C is Micacocidin. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CCC=CCCCCC O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CCC=CCCCCC is (4Z)-decenoyl-CoA(4-). It is also related to or classified as monounsaturated fatty acyl-CoA(4-)  . It is also related to or classified as medium-chain 3-substituted propanoyl-CoA(4-)  .
The molecule CCCCCCCCCCCCCCC(O)CCCCCCCC CCCCCCCCCCCCCCC(O)CCCCCCCC is A secondary fatty alcohol that is tricosane substituted by a hydroxy group at position 9. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as tricosanol .
The molecule [H][C@@]1(O[C@@](C[C@@H](O)[C@H]1O)(O[C@@H]1C[C@@](O[C@@H]2C[C@@](OC[C@H]3O[C@@H](OC[C@H]4O[C@H](OP(O)(O)=O)[C@H](N)[C@@H](O)[C@@H]4O)[C@H](N)[C@@H](O)[C@@H]3OP(O)(O)=O)(O[C@]([H])([C@H](O)CO)[C@@H]2O)C(O)=O)(O[C@]([H])([C@H](O)CO)[C@@H]1O)C(O)=O)C(O)=O)[C@H](O)CO [H][C@@]1(O[C@@](C[C@@H](O)[C@H]1O)(O[C@@H]1C[C@@](O[C@@H]2C[C@@](OC[C@H]3O[C@@H](OC[C@H]4O[C@H](OP(O)(O)=O)[C@H](N)[C@@H](O)[C@@H]4O)[C@H](N)[C@@H](O)[C@@H]3OP(O)(O)=O)(O[C@]([H])([C@H](O)CO)[C@@H]2O)C(O)=O)(O[C@]([H])([C@H](O)CO)[C@@H]1O)C(O)=O)C(O)=O)[C@H](O)CO is an amino pentasaccharide antigen consisting of three 3-deoxy-D-manno-oct-2-ulose residues and two glucosamine residues (one at the reducing end) in a linear sequence, with two phosphate groups attached. It has the role of antigen . It is also related to or classified as amino pentasaccharide .
The molecule O=C1C2=C(OC(=C1)C)C3=C(O)C=4C(=O)C=CC4C=C3C=C2O O=C1C2=C(OC(=C1)C)C3=C(O)C=4C(=O)C=CC4C=C3C=C2O is Euplectin. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCCCCCCCCCCCCCCC(O)CCCCCCC CCCCCCCCCCCCCCCC(O)CCCCCCC is A secondary fatty alcohol that is tricosane substituted by a hydroxy group at position 8. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as tricosanol .
The molecule CCCCCCCCCCCCCCCCC(O)CCCCCC CCCCCCCCCCCCCCCCC(O)CCCCCC is A secondary fatty alcohol that is tricosane substituted by a hydroxy group at position 7. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as tricosanol .
The molecule O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C4C(=O)C[C@](CC4=C3O)(O)C)C5OC(C(OC6OC(C(OC7OC(C(=O)CC7)C)CC6)C)C(C5)O)C O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C4C(=O)C[C@](CC4=C3O)(O)C)C5OC(C(OC6OC(C(OC7OC(C(=O)CC7)C)CC6)C)C(C5)O)C is N05WA963C. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule O=C/1N2[C@@](OCC)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)CCC2 O=C/1N2[C@@](OCC)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)CCC2 is (-)-aspamide D. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C=1(C=C(OC(C1C)=O)/C(/C)=C/C)O C=1(C=C(OC(C1C)=O)/C(/C)=C/C)O is A member of the class of nectriapyrones that is pyran-2-one which is substituted at positions 3, 4, and 6 by methyl, hydroxy, and but-2-en-2-yl groups, respectively in which the butenyl substituent has E configuration. It is also related to or classified as nectriapyrones , organic hydroxy compound .
The molecule OC(=O)CC1=CC(=O)C=C\C\1=N/c1c(Cl)cccc1Cl OC(=O)CC1=CC(=O)C=C\C\1=N/c1c(Cl)cccc1Cl is A quinone imine that is a metabolite of diclofenac arising from 5-hydroxylation followed by oxidation. It has the role of drug metabolite . Its functional parent is diclofenac . It is also related to or classified as dichlorobenzene  . It is also related to or classified as monocarboxylic acid , quinone imine .
The molecule O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CC(=O)CCC=CCCCCC O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CC(=O)CCC=CCCCCC is 3-oxo-(6Z)-dodecenoyl-CoA(4-). It is also related to or classified as medium-chain 3-oxoacyl-CoA(4-)  . It is also related to or classified as monounsaturated fatty acyl-CoA(4-)  .
The molecule C=1(C=C(OC(C1C)=O)/C(/C)=C/C)OC C=1(C=C(OC(C1C)=O)/C(/C)=C/C)OC is A member of the class of nectriapyrones that is pyran-2-one which is substituted at positions 3, 4, and 6 by methyl, methoxy, and but-2-en-2-yl groups, respectively in which the butenyl substituent has E configuration. A fungal metabolite that has been induced in the rice blast fungus Pyricularia oryzae by overexpression of a polyketide synthase gene (NEC1) and an O-methyltransferase gene (NEC2). It has the role of fungal metabolite . Its functional parent is desmethylnectriapyrone . It is also related to or classified as nectriapyrones .
The molecule O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CCCCC=CCCCCC O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CCCCC=CCCCCC is (6Z)-dodecenoyl-CoA(4-). It is also related to or classified as monounsaturated fatty acyl-CoA(4-)  . It is also related to or classified as medium-chain 3-substituted propanoyl-CoA(4-)  .
The molecule [H][C@@]12C[C@@H](C)[C@H](C(=O)COC(=O)C(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C [H][C@@]12C[C@@H](C)[C@H](C(=O)COC(=O)C(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C is the 21-O-pivalate ester of clocortolone. It is used for the relief of inflammatory and pruritic (itching) skin disorders. It has the role of anti-inflammatory drug . It has the role of antipruritic drug . Its functional parent is clocortolone .  It is also related to or classified as 11beta-hydroxy steroid  .  It is also related to or classified as pivalate ester  .  It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as glucocorticoid , 20-oxo steroid , fluorinated steroid , chlorinated steroid .
The molecule CCCCCCCCCCCC(O)CCCCCCCCCC CCCCCCCCCCCC(O)CCCCCCCCCC is A secondary fatty alcohol that is docosane substituted by a hydroxy group at position 11. It has the role of animal metabolite . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as docosanol .
The molecule [H]N1[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)O[C@@H](C[C@@H](C)C[C@H](O)[C@H](C)C2=N[C@H](CS2)\C=C(C)\C(=O)N([H])[C@@H](Cc2ccc(OC)cc2)C(=O)N(C)[C@@H](C)C1=O)C(C)(C)C [H]N1[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)O[C@@H](C[C@@H](C)C[C@H](O)[C@H](C)C2=N[C@H](CS2)\C=C(C)\C(=O)N([H])[C@@H](Cc2ccc(OC)cc2)C(=O)N(C)[C@@H](C)C1=O)C(C)(C)C is apratoxin B. It is also related to or classified as apratoxin  . It is also related to or classified as 1,3-thiazoles .
The molecule C1=CC=C(C(=C1/C=C/C=C/[C@H]([C@H](C)O)O)CO)O C1=CC=C(C(=C1/C=C/C=C/[C@H]([C@H](C)O)O)CO)O is A hydroxybenzyl alcohol that is pyriculariol in which the aldehyde goup has been reduced to the corresponding alcohol. It has the role of fungal metabolite . It is also related to or classified as homoallylic alcohol  . It is also related to or classified as secondary allylic alcohol  .  It is also related to or classified as aromatic primary alcohol  . It is also related to or classified as hydroxybenzyl alcohol , heptaketide .
The molecule CCCCCCCCCCCCCCCCCCCCC(C)O CCCCCCCCCCCCCCCCCCCCC(C)O is A secondary fatty alcohol that is docosane substituted by a hydroxy group at position 2. It has the role of biomarker . It has the role of bacterial metabolite . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as docosanol .
The molecule [H]N1[C@@H](Cc2ccc(OC)cc2)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)O[C@@H](C[C@@H](C)C[C@H](O)[C@H](C)C2=N[C@H](CS2)\C=C(C)\C1=O)C([H])(C)C [H]N1[C@@H](Cc2ccc(OC)cc2)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)O[C@@H](C[C@@H](C)C[C@H](O)[C@H](C)C2=N[C@H](CS2)\C=C(C)\C1=O)C([H])(C)C is apratoxin C. It is also related to or classified as apratoxin  . It is also related to or classified as 1,3-thiazoles .
The molecule C1=CC=C(C(=C1/C=C/C=C/[C@H]([C@H](C)O)O)C([H])=O)O C1=CC=C(C(=C1/C=C/C=C/[C@H]([C@H](C)O)O)C([H])=O)O is A member of the class of benzaldehydes that is salicylaldehyde which is substituted at position 6 by a (1E,3E,5R,6S)-5,6-dihydroxyhepta-1,3-dien-1-yl group. An isomer of pyriculol. It has the role of fungal metabolite . It is also related to or classified as homoallylic alcohol  . It is also related to or classified as secondary allylic alcohol  .   It is also related to or classified as phenols  . It is also related to or classified as benzaldehydes , triol , heptaketide .
The molecule OC(=O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl OC(=O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl is A monocarboxylic acid that is the 5-hydroxylated metabolite of diclofenac. It has the role of drug metabolite . It has the role of allergen . Its functional parent is diclofenac . It is also related to or classified as dichlorobenzene  .  It is also related to or classified as phenols  . It is also related to or classified as monocarboxylic acid , secondary amino compound .
The molecule O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])C=CC=CCCC=CCCCCC O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])C=CC=CCCC=CCCCCC is (2E,4E,8Z)-tetradecatrienoyl-CoA(4-). It is also related to or classified as polyunsaturated fatty acyl-CoA(4-)  . It is also related to or classified as trans,trans-2,4-dienoyl-CoA(4-)  .
The molecule CCCCCCCCCCCCCCC(O)CCCCCCC CCCCCCCCCCCCCCC(O)CCCCCCC is A secondary fatty alcohol that is docosane substituted by a hydroxy group at position 8. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as docosanol .
The molecule C=1C=C(C(=C(C1)/C=C/[C@H]([C@H](/C=C/C)O)O)C([H])=O)O C=1C=C(C(=C(C1)/C=C/[C@H]([C@H](/C=C/C)O)O)C([H])=O)O is A benzaldehyde that is salicylaldehyde which is substituted at position 6 by a (3R,4S,5E)-3,4-dihydroxyhepta-1,5-dien-1-yl group. It is a phytotoxic metabolite, isolated from the rice blast fungi Magnaporthe oryzae and Magnaporthe grisea. It has the role of fungal metabolite . It is also related to or classified as homoallylic alcohol  . It is also related to or classified as secondary allylic alcohol  .   It is also related to or classified as phenols  . It is also related to or classified as benzaldehydes , triol , heptaketide .
The molecule OC(=O)Cc1ccccc1Nc1c(Cl)cc(O)cc1Cl OC(=O)Cc1ccccc1Nc1c(Cl)cc(O)cc1Cl is A monocarboxylic acid that is the 4'-hydroxylated metabolite of diclofenac. It has the role of drug metabolite . It has the role of allergen . Its functional parent is diclofenac . It is also related to or classified as dichlorobenzene  .  It is also related to or classified as phenols  . It is also related to or classified as monocarboxylic acid , secondary amino compound .
The molecule CCCCCCCCCCCCC(O)CCCCCCCCC CCCCCCCCCCCCC(O)CCCCCCCCC is A secondary fatty alcohol that is docosane substituted by a hydroxy group at position 10. It has the role of plant metabolite . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as docosanol .
The molecule CCCCCCCCCCCCCC(O)CCCCCCCC CCCCCCCCCCCCCC(O)CCCCCCCC is A secondary fatty alcohol that is docosane substituted by a hydroxy group at position 9. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as docosanol .
The molecule C1=CC=C(C(=C1/C=C/[C@H]([C@H](/C=C/C)O)O)CO)O C1=CC=C(C(=C1/C=C/[C@H]([C@H](/C=C/C)O)O)CO)O is A member of the class of benzyl alcohols resulting from the formal reduction of the aldehyde group of pyriculol. Produced by the rice blast fungus Magnaporthe oryzae. It has the role of fungal metabolite . Its functional parent is pyriculol . It is also related to or classified as homoallylic alcohol  . It is also related to or classified as secondary allylic alcohol  .   It is also related to or classified as phenols  . It is also related to or classified as benzyl alcohols , tetrol , heptaketide .
The molecule O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CC(O)CCC=CCCCCC O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CC(O)CCC=CCCCCC is (3S,6Z)-3-hydroxydodecenoyl-CoA(4-). It is also related to or classified as medium-chain (3S)-hydroxy fatty acyl-CoA(4-)  . It is also related to or classified as monounsaturated fatty acyl-CoA(4-)  .
The molecule O=C/1N2[C@](OCC)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)CCC2 O=C/1N2[C@](OCC)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)CCC2 is (+)-aspamide D. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCCCCCCCC(O)CCCCCCCCCC CCCCCCCCCCC(O)CCCCCCCCCC is A secondary fatty alcohol that is henicosane substituted by a hydroxy group at position 11. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as henicosanol .
The molecule [H][C@]1(O[C@](O)(C[C@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO [H][C@]1(O[C@](O)(C[C@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO is deaminoneuraminic acid in which the anomric configuration is alpha. It is a conjugate acid of deamino-alpha-neuraminate(1-) . It is also related to or classified as deaminoneuraminic acid  .
The molecule CCCCCCCCCCCC(O)CCCCCCCCC CCCCCCCCCCCC(O)CCCCCCCCC is A secondary fatty alcohol that is henicosane substituted by a hydroxy group at position 10. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as henicosanol .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C is 7beta-hydroxycholesterol. Its functional parent is cholesterol . It is also related to or classified as 7beta-hydroxy steroid  . It is also related to or classified as oxysterol .