anonymous041/ChEBI-Augmented huggingface dataset:
The molecule OS(N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)OC2OC([C@H]([C@@H]([C@H]2O)O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NS(O)(=O)=O)O)OC4OC([C@H]([C@@H]([C@H]4O)O)O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5NS(O)(=O)=O)O)O[C@@H]6OC(=C[C@@H]([C@H]6O)O)C(=O)O)CO)C(=O)O)CO)C(=O)O)CO)O[C@H]7[C@@H]([C@H](C(OC7C(=O)O)O[C@H]8[C@@H]([C@H]([C@H](O[C@@H]8CO)O)NS(O)(=O)=O)O)O)O)(=O)=O OS(N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)OC2OC([C@H]([C@@H]([C@H]2O)O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NS(O)(=O)=O)O)OC4OC([C@H]([C@@H]([C@H]4O)O)O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5NS(O)(=O)=O)O)O[C@@H]6OC(=C[C@@H]([C@H]6O)O)C(=O)O)CO)C(=O)O)CO)C(=O)O)CO)O[C@H]7[C@@H]([C@H](C(OC7C(=O)O)O[C@H]8[C@@H]([C@H]([C@H](O[C@@H]8CO)O)NS(O)(=O)=O)O)O)O)(=O)=O is A heparin octasaccharide consisting of 4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-D-xylo-hexopyranuronosyl, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-D-xylo-hexopyranuronosyl, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-D-xylo-hexopyranuronosyl, and 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose units joined in sequence by (1->4) linkages.  Sequence: DHexA-GlcNSO3-HexA-GlcNSO3-HexA-GlcNSO3-HexA-GlcNSO3. It is also related to or classified as heparin octasaccharide , oligosaccharide sulfate , amino octasaccharide .
The molecule CC1CCCC(C)CCC(C)(C)CCC1 CC1CCCC(C)CCC(C)(C)CCC1 is humulane. It is also related to or classified as sesquiterpene  . It is also related to or classified as terpenoid fundamental parent .
The molecule C([C@H]([C@@H]([C@@H](C(=O)[O-])O)O)O)O C([C@H]([C@@H]([C@@H](C(=O)[O-])O)O)O)O is A lyxonate that is the conjugate base of D-lyxonic acid, obtained by the deprotonation of the carboxy group. It is also related to or classified as lyxonate .
The molecule CSc1c(C)cc(O)cc1C CSc1c(C)cc(O)cc1C is 3,5-dimethyl-4-(methylsulfanyl)phenol. It is also related to or classified as phenols  . It is also related to or classified as aryl sulfide .
The molecule O(CC1C(C(C=2C(C1)=CC(OC)=C(O)C2)C3=CC(OC)=C(O)C=C3)CO)C4OC(C(O)C(O)C4O)CO O(CC1C(C(C=2C(C1)=CC(OC)=C(O)C2)C3=CC(OC)=C(O)C=C3)CO)C4OC(C(O)C(O)C4O)CO is Isolariciresinol 9-O-beta-D-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule CNC(=O)Oc1cccc(c1)N=CN(C)C CNC(=O)Oc1cccc(c1)N=CN(C)C is formetanate. It has the role of acaricide . It has the role of agrochemical . It has the role of carbamate insecticide . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is N'-(3-hydroxyphenyl)-N,N-dimethylformamidine . Its functional parent is methylcarbamic acid . It is also related to or classified as carbamate ester .
The molecule [C@]123[C@]([C@]4([C@@]([C@](CCC4)(C)C(O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6O)O)CO)O)CO)=O)(CC1)[H])C)(CC[C@@](C2)(O[C@H]7[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@@H]([C@H]8O)O)CO)[C@H]([C@H](O)[C@H](O7)CO)O[C@@H]9O[C@@H]([C@@H](O)[C@@H]([C@H]9O)O)CO)C(C3)=C)[H] [C@]123[C@]([C@]4([C@@]([C@](CCC4)(C)C(O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6O)O)CO)O)CO)=O)(CC1)[H])C)(CC[C@@](C2)(O[C@H]7[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@@H]([C@H]8O)O)CO)[C@H]([C@H](O)[C@H](O7)CO)O[C@@H]9O[C@@H]([C@@H](O)[C@@H]([C@H]9O)O)CO)C(C3)=C)[H] is A rebaudioside that is rebaudioside A in which the hydroxy group at position 2 of the beta-D-glucosyl ester moiety has been converted to the corresponding beta-D-glucoside. Found in minute quantities in the leaves of Stevia rebaudiana. It has the role of sweetening agent . Its functional parent is rebaudioside A . Its functional parent is rebaudioside E . Its functional parent is beta-D-Glcp-(1->2)-[beta-D-Glcp-(1->3)]-beta-D-Glcp .  It is also related to or classified as sophoroside  . It is also related to or classified as rebaudioside .
The molecule Sc1ncccn1 Sc1ncccn1 is pyrimidine substituted at C-2 by a sulfanyl group. It has the role of allergen . It has the role of corrosion inhibitor .  It is also related to or classified as aryl thiol  . It is also related to or classified as pyrimidines .
The molecule OS(N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)OC2OC([C@H]([C@@H]([C@H]2O)O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NS(O)(=O)=O)O)OC4OC([C@H]([C@@H]([C@H]4OS(O)(=O)=O)O)O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5NS(O)(=O)=O)O)O[C@@H]6OC(=C[C@@H]([C@H]6O)O)C(=O)O)CO)C(=O)O)CO)C(=O)O)CO)O[C@H]7[C@@H]([C@H](C(OC7C(=O)O)O[C@H]8[C@@H]([C@H]([C@H](O[C@@H]8CO)O)NS(O)(=O)=O)O)O)O)(=O)=O OS(N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)OC2OC([C@H]([C@@H]([C@H]2O)O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NS(O)(=O)=O)O)OC4OC([C@H]([C@@H]([C@H]4OS(O)(=O)=O)O)O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5NS(O)(=O)=O)O)O[C@@H]6OC(=C[C@@H]([C@H]6O)O)C(=O)O)CO)C(=O)O)CO)C(=O)O)CO)O[C@H]7[C@@H]([C@H](C(OC7C(=O)O)O[C@H]8[C@@H]([C@H]([C@H](O[C@@H]8CO)O)NS(O)(=O)=O)O)O)O)(=O)=O is A heparin octasaccharide consisting of 4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-2-O-sulfo-D-xylo-hexopyranuronosyl, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-D-xylo-hexopyranuronosyl, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-D-xylo-hexopyranuronosyl, and 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose units joined in sequence by (1->4) linkages. Sequence: DHexA-GlcNSO3-HexA(2SO4)-GlcNSO3-HexA-GlcNSO3-HexA-GlcNSO3. It is also related to or classified as heparin octasaccharide , oligosaccharide sulfate , amino octasaccharide .
The molecule OC(C1=CC(OC)=C(O)C=C1)CC(O)=O OC(C1=CC(OC)=C(O)C=C1)CC(O)=O is 3-hydroxy-3-(4'-hydroxy-3'-methoxyphenyl)propionic acid. It is a conjugate acid of 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate . It is also related to or classified as benzenes , monocarboxylic acid .
The molecule C([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O C([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O is A lyxonic acid that has D-configuration. It has the role of plant metabolite . It is a conjugate acid of D-lyxonate . It is also related to or classified as lyxonic acid .
The molecule C1(=O)C=C(C2=CC(=C(C=C2)O)O)OC3=C1C([O-])=CC(=C3)OC C1(=O)C=C(C2=CC(=C(C=C2)O)O)OC3=C1C([O-])=CC(=C3)OC is major species at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule O([C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)C([C@]2([C@@]3([C@]([C@]4([C@]5(C[C@@](CC4)(C(C5)=C)O[C@H]6[C@H](O)[C@H]([C@H](O)[C@H](O6)CO)O)CC3)[H])(CCC2)C)[H])C)=O O([C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)C([C@]2([C@@]3([C@]([C@]4([C@]5(C[C@@](CC4)(C(C5)=C)O[C@H]6[C@H](O)[C@H]([C@H](O)[C@H](O6)CO)O)CC3)[H])(CCC2)C)[H])C)=O is A steviol glycoside that is steviol in which both the carboxy group and the tertiary allylic hydroxy group have been converted to their corresponding beta-D-glucosides. A precious bioactive natural sweetener which mainly exists the in Chinese sweet tea plant, Rubus suavissimus. It has the role of sweetening agent . It has the role of plant metabolite . Its functional parent is steviol .  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as steviol glycoside , bridged compound , tetracyclic diterpenoid .
The molecule C=1(\C=C\C(=C\C=C\C(\C)=C/COC(CCCCCCCCCCCCC)=O)\C)C(C)(C)CCCC1C C=1(\C=C\C(=C\C=C\C(\C)=C/COC(CCCCCCCCCCCCC)=O)\C)C(C)(C)CCCC1C is A retinyl ester obtained by formal condensation of the carboxy group of tetradecanoic acid with the hydroxy group of 13-cis-retinol. Its functional parent is 13-cis-retinol . It is also related to or classified as 13-cis-retinyl ester  . It is also related to or classified as tetradecanoate ester  . It is also related to or classified as retinyl ester  .
The molecule C(=C)C(C\C=C\C(C)(C)OO)(C)O C(=C)C(C\C=C\C(C)(C)OO)(C)O is linalool hydroperoxide where the hydroperoxy group is located at position 7 of the linalool skeleton; one of the two main allergenic hydroperoxides formed by autoxidation of linalool. It has the role of allergen . It is also related to or classified as linalool hydroperoxide .
The molecule O=C1N[C@H](C(=O)N2[C@]1(OC)CCC2)CC3=CC=CC=C3 O=C1N[C@H](C(=O)N2[C@]1(OC)CCC2)CC3=CC=CC=C3 is Gallaecimonamide C. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O(C1C(O)[C@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)CO)[C@@H]5OC[C@@H](O)C(O)[C@H]5O O(C1C(O)[C@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)CO)[C@@H]5OC[C@@H](O)C(O)[C@H]5O is Isorhamnetin 3-sambubioside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [C@]123[C@]([C@]4([C@@]([C@](CCC4)(C)C(O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6O)O)CO)O[C@@H]7O[C@@H]([C@@H](O)[C@@H]([C@H]7O)O)CO)CO)=O)(CC1)[H])C)(CC[C@@](C2)(O[C@H]8[C@H](O[C@@H]9O[C@@H]([C@@H](O)[C@@H]([C@H]9O)O)CO)[C@H]([C@H](O)[C@H](O8)CO)O[C@@H]%10O[C@@H]([C@@H](O)[C@@H]([C@H]%10O)O)CO)C(C3)=C)[H] [C@]123[C@]([C@]4([C@@]([C@](CCC4)(C)C(O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6O)O)CO)O[C@@H]7O[C@@H]([C@@H](O)[C@@H]([C@H]7O)O)CO)CO)=O)(CC1)[H])C)(CC[C@@](C2)(O[C@H]8[C@H](O[C@@H]9O[C@@H]([C@@H](O)[C@@H]([C@H]9O)O)CO)[C@H]([C@H](O)[C@H](O8)CO)O[C@@H]%10O[C@@H]([C@@H](O)[C@@H]([C@H]%10O)O)CO)C(C3)=C)[H] is A rebaudioside that is rebaudioside A in which the the hydroxy groups at positions 2 and 3 of the beta-D-glucosyl ester moiety have both been converted to the corresponding beta-D-glucoside. Found in very low concentraitions in the leaves of Stevia Rebaudiana, it is more than 200 times sweeter than sucrose. It has the role of sweetening agent . Its functional parent is rebaudioside A . Its functional parent is rebaudioside D . Its functional parent is beta-D-Glcp-(1->2)-[beta-D-Glcp-(1->3)]-beta-D-Glcp .  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as rebaudioside .
The molecule OS(N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)OC2OC([C@H]([C@@H]([C@H]2OS(O)(=O)=O)O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NS(O)(=O)=O)O)OC4OC([C@H]([C@@H]([C@H]4OS(O)(=O)=O)O)O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5NS(O)(=O)=O)O)O[C@@H]6OC(=C[C@@H]([C@H]6O)O)C(=O)O)CO)C(=O)O)CO)C(=O)O)CO)O[C@H]7[C@@H]([C@H](C(OC7C(=O)O)O[C@H]8[C@@H]([C@H]([C@H](O[C@@H]8CO)O)NS(O)(=O)=O)O)O)O)(=O)=O OS(N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)OC2OC([C@H]([C@@H]([C@H]2OS(O)(=O)=O)O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NS(O)(=O)=O)O)OC4OC([C@H]([C@@H]([C@H]4OS(O)(=O)=O)O)O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5NS(O)(=O)=O)O)O[C@@H]6OC(=C[C@@H]([C@H]6O)O)C(=O)O)CO)C(=O)O)CO)C(=O)O)CO)O[C@H]7[C@@H]([C@H](C(OC7C(=O)O)O[C@H]8[C@@H]([C@H]([C@H](O[C@@H]8CO)O)NS(O)(=O)=O)O)O)O)(=O)=O is A heparin octasaccharide consisting of 4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-2-O-sulfo-D-xylo-hexopyranuronosyl, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-2-O-sulfo-D-xylo-hexopyranuronosyl, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-D-xylo-hexopyranuronosyl, and 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose units joined in sequence by (1->4) linkages. Sequence: DHexA-GlcNSO3-HexA(2SO4)-GlcNSO3-HexA(2SO4)-GlcNSO3-HexA-GlcNSO3. It is also related to or classified as heparin octasaccharide , oligosaccharide sulfate , amino octasaccharide .
The molecule Cl.Cl.COC1=C(OCCCN2CCOCC2)C=CC2=C1N=C(NC(=O)C1=CN=C(N)N=C1)N1CCN=C21 Cl.Cl.COC1=C(OCCCN2CCOCC2)C=CC2=C1N=C(NC(=O)C1=CN=C(N)N=C1)N1CCN=C21 is the dihydrochloride salt of copanlisib. It has the role of antineoplastic agent . It has the role of EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor . It has the role of apoptosis inducer . It is also related to or classified as hydrochloride .
The molecule C(=C)C(C\C=C(\C(C)C)/OO)(C)O C(=C)C(C\C=C(\C(C)C)/OO)(C)O is linalool hydroperoxide where the hydroperoxy group is located at position 6 of the linalool skeleton; one of the two main allergenic hydroperoxides formed by autoxidation of linalool. It has the role of allergen . It is also related to or classified as linalool hydroperoxide .
The molecule [K+].Cl[Nb-](Cl)(Cl)(Cl)(Cl)Cl [K+].Cl[Nb-](Cl)(Cl)(Cl)(Cl)Cl is potassium hexachloroniobate(1-). It has the role of NMR chemical shift reference compound . It is also related to or classified as potassium salt , inorganic chloride , niobium molecular entity .
The molecule O([C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)O)CO)C([C@]3([C@@]4([C@]([C@]5([C@]6(C[C@@](CC5)(C(C6)=C)O[C@H]7[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@@H]([C@H]8O)O)CO)[C@H]([C@H](O)[C@H](O7)CO)O)CC4)[H])(CCC3)C)[H])C)=O O([C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)O)CO)C([C@]3([C@@]4([C@]([C@]5([C@]6(C[C@@](CC5)(C(C6)=C)O[C@H]7[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@@H]([C@H]8O)O)CO)[C@H]([C@H](O)[C@H](O7)CO)O)CC4)[H])(CCC3)C)[H])C)=O is A rebaudioside that is stevioside in which the hydroxy group at position 2 of the glucosyl ester moiety has been converted into the corresponding beta-D-glucoside. Its functional parent is stevioside .  It is also related to or classified as sophoroside  . It is also related to or classified as rebaudioside .
The molecule CCC1=CC=C(CO)C=C1 CCC1=CC=C(CO)C=C1 is A member of the class of benzyl alcohols in which the hydrogen at position 4 on the phenyl ring of benzyl alcohol has been replaced by an ethyl group.  It is also related to or classified as aromatic primary alcohol  . It is also related to or classified as benzyl alcohols .
The molecule NC(Cc1ccc(O)cc1)C([O-])=O NC(Cc1ccc(O)cc1)C([O-])=O is an alpha-amino-acid anion that is the conjugate base of tyrosine, arising from deprotonation of the carboxy group. It is a conjugate acid of tyrosinate(2-) . It is also related to or classified as alpha-amino-acid anion .
The molecule OS(N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)OC2OC([C@H]([C@@H]([C@H]2OS(O)(=O)=O)O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NS(O)(=O)=O)O)OC4OC([C@H]([C@@H]([C@H]4OS(O)(=O)=O)O)O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5NS(O)(=O)=O)O)O[C@@H]6OC(=C[C@@H]([C@H]6O)O)C(=O)O)CO)C(=O)O)CO)C(=O)O)CO)O[C@H]7[C@@H]([C@H](C(OC7C(=O)O)O[C@H]8[C@@H]([C@H]([C@H](O[C@@H]8CO)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)(=O)=O OS(N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)OC2OC([C@H]([C@@H]([C@H]2OS(O)(=O)=O)O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NS(O)(=O)=O)O)OC4OC([C@H]([C@@H]([C@H]4OS(O)(=O)=O)O)O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5NS(O)(=O)=O)O)O[C@@H]6OC(=C[C@@H]([C@H]6O)O)C(=O)O)CO)C(=O)O)CO)C(=O)O)CO)O[C@H]7[C@@H]([C@H](C(OC7C(=O)O)O[C@H]8[C@@H]([C@H]([C@H](O[C@@H]8CO)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)(=O)=O is A heparin octasaccharide consisting of 4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-2-O-sulfo-D-xylo-hexopyranuronosyl, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-2-O-sulfo-D-xylo-hexopyranuronosyl, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-2-O-sulfo-D-xylo-hexopyranuronosyl, and 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose units joined in sequence by (1->4) linkages. Sequence: DHexA-GlcNSO3-HexA(2SO4)-GlcNSO3-HexA(2SO4)-GlcNSO3-HexA(2SO4)-GlcNSO3. It is also related to or classified as heparin octasaccharide , oligosaccharide sulfate , amino octasaccharide .
The molecule O=C1OC(C(NC(=O)C(C(O)C(O)C(N)CC)C)CC(C)C)CC=2C1=C(O)C=CC2 O=C1OC(C(NC(=O)C(C(O)C(O)C(N)CC)C)CC(C)C)CC=2C1=C(O)C=CC2 is Baciphelacin. Its functional parent is delta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O[C@@H]1[C@@H](CS(O)(=O)=O)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O O[C@@H]1[C@@H](CS(O)(=O)=O)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O is A UDP-sugar having 6-sulfoquinovose as the sugar component. Its functional parent is quinovose . It is a conjugate acid of UDP-6-sulfoquinovose(3-) . It is also related to or classified as UDP-sugar  . It is also related to or classified as carbohydrate sulfonate .
The molecule C[C@H](C[C@H](N)C(O)=O)C(O)=O C[C@H](C[C@H](N)C(O)=O)C(O)=O is A 4-methyl-L-glutamic acid in which the methyl group at position 4 adopts R-configuration. It has the role of excitatory amino acid agonist . It is a conjugate acid of (4R)-4-methyl-L-glutamate(1-) . It is also related to or classified as 4-methyl-L-glutamic acid  .
The molecule [H]C(=N)N[C@@H](CCC(O)=O)C(O)=O [H]C(=N)N[C@@H](CCC(O)=O)C(O)=O is the N-formimidoyl derivative of L-glutamic acid. It is a conjugate acid of N-formimidoyl-L-glutamate(2-) . It is a conjugate acid of N-formimidoyl-L-glutamate(1-) . It is also related to or classified as dicarboxylic acid , L-glutamic acid derivative .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)OCC(=O)COP([O-])([O-])=O CCCCCCCC\C=C/CCCCCCCC(=O)OCC(=O)COP([O-])([O-])=O is A 1-acylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-oleoylglycerone 3-phosphate; major species at pH 7.3. It is also related to or classified as 1-acylglycerone 3-phosphate(2-)  .
The molecule ClC1=CC=C(C=C1)C(=O)NNC(=O)C=CC2=CC=C(OC(F)(F)F)C=C2 ClC1=CC=C(C=C1)C(=O)NNC(=O)C=CC2=CC=C(OC(F)(F)F)C=C2 is N'-(4-chlorobenzoyl)-3-[4-(trifluoromethoxy)phenyl]acrylohydrazide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule OS(N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)OC2OC([C@H]([C@@H]([C@H]2O)O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NS(O)(=O)=O)O)OC4OC([C@H]([C@@H]([C@H]4O)O)O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5NS(O)(=O)=O)O)O[C@@H]6OC(=C[C@@H]([C@H]6O)O)C(=O)O)CO)C(=O)O)COS(O)(=O)=O)C(=O)O)CO)O[C@H]7[C@@H]([C@H](C(OC7C(=O)O)O[C@H]8[C@@H]([C@H]([C@H](O[C@@H]8CO)O)NS(O)(=O)=O)O)O)O)(=O)=O OS(N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)OC2OC([C@H]([C@@H]([C@H]2O)O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NS(O)(=O)=O)O)OC4OC([C@H]([C@@H]([C@H]4O)O)O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5NS(O)(=O)=O)O)O[C@@H]6OC(=C[C@@H]([C@H]6O)O)C(=O)O)CO)C(=O)O)COS(O)(=O)=O)C(=O)O)CO)O[C@H]7[C@@H]([C@H](C(OC7C(=O)O)O[C@H]8[C@@H]([C@H]([C@H](O[C@@H]8CO)O)NS(O)(=O)=O)O)O)O)(=O)=O is A heparin octasaccharide consisting of 4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-D-xylo-hexopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-D-xylo-hexopyranuronosyl, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-D-xylo-hexopyranuronosyl, and 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose units joined in sequence by (1->4) linkages. Sequence: DHexA-GlcNSO3-HexA-GlcNSO3(6SO4)-HexA-GlcNSO3-HexA-GlcNSO3. It is also related to or classified as heparin octasaccharide , oligosaccharide sulfate , amino octasaccharide .
The molecule CC(=O)N[C@H]([C@@H](O)CC(=O)C(O)=O)[C@@H](O)[C@H](O)[C@H](O)CO CC(=O)N[C@H]([C@@H](O)CC(=O)C(O)=O)[C@@H](O)[C@H](O)[C@H](O)CO is an N-acetylneuraminic acid that is keto-neuraminic acid in which one of the hydrogens of the amino group is replaced by an acetyl group. Its functional parent is keto-neuraminic acid . It is a conjugate acid of aceneuramate .  It is also related to or classified as 2-oxo monocarboxylic acid  . It is also related to or classified as N-acetylneuraminic acids , acetamides .
The molecule CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O is A leukotriene that is (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid in which a glutathionyl group is attached at position 6 via a sulfide linkage. It has the role of bronchoconstrictor agent . It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is icosa-7,9,11,14-tetraenoic acid . It is a conjugate acid of leukotriene C4(2-) . It is also related to or classified as leukotriene  .
The molecule CCSCc1ccccc1O CCSCc1ccccc1O is 2-[(ethylsulfanyl)methyl]phenol. Its functional parent is o-cresol . It is also related to or classified as organic sulfide  . It is also related to or classified as phenols  .
The molecule COC(=O)C(C1CCCC[NH2+]1)c1ccccc1 COC(=O)C(C1CCCC[NH2+]1)c1ccccc1 is methylphenidate(1+). It is a conjugate acid of methylphenidate . It is also related to or classified as ammonium ion derivative .
The molecule [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS(O)(=O)=O)/CCCC [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS(O)(=O)=O)/CCCC is an alkylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a N-(sulfooxy)pentanimidoyl group at the anomeric sulfur. It is a conjugate acid of butylglucosinolate . It is also related to or classified as alkylglucosinolic acid .
The molecule C123[C@]4([C@]5([C@@H](C(=O)O[C@]5([C@@H]1O)[H])C)O)O[C@H]6C2([C@](C(C)(C)C)(C[C@]3(OC4=O)[H])[H])[C@H](C(=O)O6)O C123[C@]4([C@]5([C@@H](C(=O)O[C@]5([C@@H]1O)[H])C)O)O[C@H]6C2([C@](C(C)(C)C)(C[C@]3(OC4=O)[H])[H])[C@H](C(=O)O6)O is A ginkgolide in which the pro-R hydrogens at positions 6, 12, and 17 of the  8-tert-butyl-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0(1,11).0(3,7).0(7,11).0(13,17)]nonadecane-5,15,18-trione ginkgolide skeleton have been replaced by hydroxy groups. It has the role of platelet-activating factor receptor antagonist . It has the role of antineoplastic agent . It has the role of neuroprotective agent . It is also related to or classified as ginkgolide , diterpene lactone .
The molecule OS(N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)OC2OC([C@H]([C@@H]([C@H]2O)O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NS(O)(=O)=O)O)OC4OC([C@H]([C@@H]([C@H]4O)O)O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5NS(O)(=O)=O)O)O[C@@H]6OC(=C[C@@H]([C@H]6O)O)C(=O)O)CO)C(=O)O)COS(O)(=O)=O)C(=O)O)COS(O)(=O)=O)O[C@H]7[C@@H]([C@H](C(OC7C(=O)O)O[C@H]8[C@@H]([C@H]([C@H](O[C@@H]8CO)O)NS(O)(=O)=O)O)O)O)(=O)=O OS(N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)OC2OC([C@H]([C@@H]([C@H]2O)O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NS(O)(=O)=O)O)OC4OC([C@H]([C@@H]([C@H]4O)O)O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5NS(O)(=O)=O)O)O[C@@H]6OC(=C[C@@H]([C@H]6O)O)C(=O)O)CO)C(=O)O)COS(O)(=O)=O)C(=O)O)COS(O)(=O)=O)O[C@H]7[C@@H]([C@H](C(OC7C(=O)O)O[C@H]8[C@@H]([C@H]([C@H](O[C@@H]8CO)O)NS(O)(=O)=O)O)O)O)(=O)=O is A heparin octasaccharide consisting of 4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-D-xylo-hexopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-D-xylo-hexopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-D-xylo-hexopyranuronosyl, and 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose units joined in sequence by (1->4) linkages. Sequence: DHexA-GlcNSO3-HexA-GlcNSO3(6SO4)-HexA-GlcNSO3(6SO4)-HexA-GlcNSO3. It is also related to or classified as heparin octasaccharide , oligosaccharide sulfate , amino octasaccharide .
The molecule COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 is A biflavonoid that is the  7,4'-dimethyl ether derivative of amentoflavone. Isolated from Ginkgo biloba and Dioon, it exhibits anti-HSV-1, antineoplastic and inhibitory activities towards arachidonate 5-lipoxygenase and cyclooxygenase 2. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of cyclooxygenase 2 inhibitor . It has the role of anti-HSV-1 agent . It has the role of EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor . Its functional parent is amentoflavone . It is also related to or classified as hydroxyflavone , methoxyflavone , ring assembly , biflavonoid .
The molecule CC(C)CCCC(C)C1CCC2C3[C@H](O)C[C@H]4CC(=O)CCC4(C)C3C[C@H](O)C12C CC(C)CCCC(C)C1CCC2C3[C@H](O)C[C@H]4CC(=O)CCC4(C)C3C[C@H](O)C12C is 7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one. It is also related to or classified as 3-oxo-5alpha-steroid  . It is also related to or classified as cholestanoid .