mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)CC4=NC=CS4</smiles> is N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C</smiles> is (5S,6R,9R)-14-[[cyclobutyl(oxo)methyl]amino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O)NC(=O)C)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O</smiles> is a branched amino trisaccharide in which two N-acetyl-alpha-neuraminyl residues are linked (2->3) and (2->6) to an N-acetyl-alpha-D-galactosamine residue. It has a role as an epitope. It is an amino trisaccharide and a galactosamine oligosaccharide.
The molecule <smiles>C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O</smiles> is a proanthocyanidin consisting of (-)-epigallocatechin and (-)-epicatechin units joined by a (4beta->8)-linkage. It has a role as a metabolite. It is a hydroxyflavan, a proanthocyanidin, a polyphenol and a biflavonoid. It derives from a (-)-epigallocatechin and a (-)-epicatechin.
The molecule <smiles>C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F</smiles> is 1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>CCCCCCCC/C=C\\C/C=C\\CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O</smiles> is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (8Z,11Z)-icosadienoic acid. It is an unsaturated fatty acyl-CoA and a long-chain fatty acyl-CoA. It is a conjugate acid of an (8Z,11Z)-icosadienoyl-CoA(4-).
The molecule <smiles>CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCS</smiles> is an amide obtained by formal condensation of the carboxy group of pantothenic acid and the amino group of cysteamine. It has the role of metabolite. It has the role of mouse metabolite. It has the role of human metabolite.  It is also related to or classified as thiol . It is also related to or classified as pantetheines.
The molecule <smiles>C(CSSCCC(C(=O)O)N)C(C(=O)O)N</smiles> is an organic disulfide obtained by oxidative dimerisation of homocysteine. It has a role as a human metabolite. It is a tautomer of a homocystine zwitterion.
The molecule <smiles>NCCCCNCCCC[C@H](N)C(O)=O</smiles> is an L-lysine derivative in which the N(6) of the lysine is substituted with a 4-aminobutyl group. It has the role of human metabolite. Its functional parent is hypusine. It is also related to or classified as L-lysine derivative, non-proteinogenic L-alpha-amino acid.
The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\C/C=C\\C/C=C\\CC</smiles> is a 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at positions 1 and 2 are specified as heptadecanoyl and (9Z,12Z,15Z)-octadecatrienoyl respectively. It has a role as a mouse metabolite. It derives from an alpha-linolenic acid and a heptadecanoic acid.
The molecule <smiles>C1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)O)O</smiles> is a D-hexopyranose 6-phosphate that is the 6-monophospho derivative of 2-deoxy-D-glucopyranose. It is a conjugate acid of a 2-deoxy-D-glucopyranose 6-phosphate(2-).
The molecule <smiles>C(=N)(NCCC[C@@H](C(=O)N1[C@H](C(N2[C@H](C(=O)NCC(N[C@H](C(N[C@H](C(=O)N3[C@H](C(=O)O)CCC3)CO)=O)CC=4C=CC=CC4)=O)CCC2)=O)CCC1)N)N</smiles> is A seven-membered oligopeptide comprising Arg, Pro, Pro, Gly, Phe, Ser, and Pro residues joined in sequence by peptide bonds. It is a metabolite of bradykinin lacking the Phe residue at position 8 and the Arg residue at position 9. It has the role of human metabolite. It has the role of rat metabolite. It is also related to or classified as oligopeptide .
The molecule <smiles>S([C@]1(N(C(=O)[C@]2(SC)CC=3[C@H](N2C1=O)[C@@H](OC(=O)C)C=CC3)C)CO)C</smiles> is 6-acetylbisdethiobis(methylthio)gliotoxin. Its functional parent is alpha-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)OC(=O)C)O)O)NC(=O)C)O)CO)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)OC(=O)C)O)O</smiles> is a polysaccharide derivative with a repeating unit consisting of alpha-D-galactosyl, 2-O-acetyl-beta-L-rhamnosyl, beta-D-glucosyl and N-acetyl-beta-D-galactosaminyl residues linked sequentially (1->3), (1->4) and (1->3), to the galactosyl and N-acetyl-beta-D-galactosaminyl residues of which are attached respectively a beta-D-galactosyl residue and an N-acetyl-alpha-D-glucosaminyl-(1->2)-alpha-L-rhamnosyl disaccharide unit via (1->2) and (1->4) linkages respectively, with all repeating units being linked (1->6). The repeating unit corresponds to that of the capsular polysaccharide of Streptococcus pneumoniae serotype 7F (ST7F).
The molecule <smiles>CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@@H](CO2)C)C(=O)C)C)OC)C</smiles> is N-[(5S,6R,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>C(CC(=O)O)C(C(=O)O)NC(=O)N</smiles> is a glutamic acid derivative that is glutamic acid substituted by a carbamoyl group at the nitrogen atom. It has a role as a human metabolite. It is a glutamic acid derivative and a member of ureas.
The molecule <smiles>C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N(C[C@@H]1OC)C)C</smiles> is N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenylbenzenesulfonamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>[H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)N[C@@H](CCNC(C)=O)C(O)=O)[C@]31[H]</smiles> is A  polycyclic cage compound that is a carboxamide obtained by the formal condensation of the amino group of 4-(acetylamino)-2-aminobutanoic acid with the carboxy group of the oxatetracyclic cage component. It is isolated from Streptomyces platensis. It has the role of metabolite. It is also related to or classified as acetamides, monocarboxylic acid, polycyclic cage, cyclic ether, cyclic ketone.
The molecule <smiles>Nc1nc2NCC(=Nc2c(=O)[nH]1)[C@H](O)[C@@H](O)CO</smiles> is A dihydropterin that is monapterin dihydrogenated at positions 7 and 8. It is also related to or classified as neopterins, dihydropterin.
The molecule <smiles>[H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)cccc2O)[C@]31[H]</smiles> is A polycyclic cage that is the decarboxy derivative of  platensimycin. It is isolated from Streptomyces platensis. It has the role of bacterial metabolite. Its functional parent is platensimycin. It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as resorcinols, polycyclic cage, cyclic ether, cyclic ketone, aromatic amide.
The molecule <smiles>OC(=O)CNC(=O)C1=CCCCC1</smiles> is an N-acylglycine in which the acyl group is specifed as cyclohex-1-en-1-ylcarbonyl. It has the role of metabolite. It is also related to or classified as N-acylglycine .
The molecule <smiles>[H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc4c2oc(=O)[nH]c4=O)[C@]31[H]</smiles> is A polycyclic cage that is  platensimycin with a 1,3-oxazinane ring fused onto the aromatic ring. It is isolated from Streptomyces platensis. It has the role of bacterial metabolite. Its functional parent is platensimycin. It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as polycyclic cage, cyclic ether, cyclic ketone, benzoxazine, aromatic amide.
The molecule <smiles>CC(NC(=O)c1ccccc1)C(O)=O</smiles> is an N-acylamino acid that is the N-benzoyl derivative of alanine. It has the role of metabolite. It is also related to or classified as alanine derivative, N-acyl-amino acid.
The molecule <smiles>[H][C@]12C[C@]3([H])O[C@@]1(C)[C@H](O)[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)OC)c2O)[C@]31[H]</smiles> is A  polycyclic cage that is the methyl ester derivative of platensimycin A1. It is isolated from Streptomyces platensis. It has the role of bacterial metabolite. Its functional parent is platensimycin A1. It is also related to or classified as secondary carboxamide . It is also related to or classified as methyl ester .   It is also related to or classified as secondary alcohol . It is also related to or classified as resorcinols, polycyclic cage, cyclic ether, cyclic ketone, aromatic amide.
The molecule <smiles>C[C@H](NC(=O)c1ccccc1)C(O)=O</smiles> is an N-acyl-L-alanine resulting from the formal condensation of L-alanine with the carboxy group of benzoic acid. It has the role of metabolite. It is also related to or classified as N-benzoylalanine . It is also related to or classified as N-acyl-L-alanine .
The molecule <smiles>[H][C@]12C[C@]3([H])O[C@@]1(C)[C@H](O)[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(O)=O)c2O)[C@]31[H]</smiles> is A  polycyclic cage that is the 5-hydroxy derivative of  platensimycin. It is isolated from Streptomyces platensis. It has the role of bacterial metabolite. Its functional parent is platensimycin.  It is also related to or classified as monocarboxylic acid amide .  It is also related to or classified as secondary alcohol . It is also related to or classified as dihydroxybenzoic acid, polycyclic cage, cyclic ether, cyclic ketone, aromatic amide.
The molecule <smiles>[H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)c(ccc2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(=O)OC)[C@]31[H]</smiles> is A  polycyclic cage that is the methyl ester derivative of platensimycin B4. It is isolated from Streptomyces platensis. It has the role of bacterial metabolite. Its functional parent is platensimycin B4. It is also related to or classified as monocarboxylic acid amide .  It is also related to or classified as phenols . It is also related to or classified as polycyclic cage, benzoate ester, cyclic ether, cyclic ketone, aromatic amide, monosaccharide derivative.
The molecule <smiles>C[C@@H](O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is A lactoyl-CoA in which the lactoyl residue has (R)-configuration. Its functional parent is (R)-lactic acid. It is also related to or classified as lactoyl-CoA .
The molecule <smiles>[H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)c(ccc2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)[C@]31[H]</smiles> is A  monosaccharide derivative of  platensimycin isolated from Streptomyces platensis. It has the role of bacterial metabolite. Its functional parent is platensimycin.  It is also related to or classified as monocarboxylic acid amide .  It is also related to or classified as phenols . It is also related to or classified as monocarboxylic acid, polycyclic cage, cyclic ether, cyclic ketone, aromatic amide, monosaccharide derivative.
The molecule <smiles>[H]C(CCC(O)=O)=C([H])C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is A 2-enoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the enoic carboxy group of hex-2-enedioic acid. Its functional parent is 2-hexenedioic acid. It is a conjugate acid of 2,3-didehydroadipoyl-CoA(5-). It is also related to or classified as monounsaturated fatty acyl-CoA, 2-enoyl-CoA.
The molecule <smiles>[H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(N)=O)c2O)[C@]31[H]</smiles> is A polycyclic cage that is the benzamide derivative of platensimycin. It is isolated from Streptomyces platensis. It has the role of metabolite. Its functional parent is platensimycin. It is also related to or classified as benzamides, resorcinols, polycyclic cage, cyclic ether, cyclic ketone.
The molecule <smiles>OC(=O)c1c[nH]cc1C(O)=O</smiles> is A pyrroledicarboxylic acid in which the two carboxy groups are located at positions 3 and 4. It has the role of metabolite. It is also related to or classified as pyrroledicarboxylic acid.
The molecule <smiles>[H][C@]12C[C@@H]3O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)OC)c2O)[C@]31[H]</smiles> is A polycyclic cage compound that is methyl ester derivative of platensimycin. It is isolated from Streptomyces platensis. It has the role of bacterial metabolite. Its functional parent is platensimycin. It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as polycyclic cage, benzoate ester, cyclic ether, cyclic ketone, aromatic amide.
The molecule <smiles>Oc1cc(O)cc(c1)S(O)(=O)=O</smiles> is A dihydroxybenzenesulfonic acid that is resorcinol in which the hydrogen meta- to both of the hydroxy groups is replaced by a sulfonic acid group. It has the role of metabolite. Its functional parent is resorcinol. It is also related to or classified as dihydroxybenzenesulfonic acid.
The molecule <smiles>[H][C@@]1(OC(=O)C[C@@]1(O)C(O)=O)C(O)=O</smiles> is (+)-garcinia acid. It has the role of metabolite. It is also related to or classified as butan-4-olide, hydroxy carboxylic acid.
The molecule <smiles>Oc1cccc(O)c1S(O)(=O)=O</smiles> is A dihydroxybenzenesulfonic acid that is resorcinol in which the hydrogen ortho- to both of the hydroxy groups is replaced by a sulfonic acid group. It has the role of metabolite. Its functional parent is resorcinol. It is also related to or classified as dihydroxybenzenesulfonic acid.
The molecule <smiles>C12=C(OCO1)C=C(C=C2OC)CC=C</smiles> is myristicin. It has the role of metabolite. It is also related to or classified as organic molecular entity.
The molecule <smiles>Oc1ccc(c(O)c1)S(O)(=O)=O</smiles> is A dihydroxybenzenesulfonic acid that is resorcinol in which a hydrogen para- to one of the hydroxy groups is replaced by a sulfonic acid group. It has the role of metabolite. Its functional parent is resorcinol. It is also related to or classified as dihydroxybenzenesulfonic acid.
The molecule <smiles>CCC\C=C1/OC(=O)c2ccccc12</smiles> is A  gamma-lactone that is  phthalide substituted by a butylidene group at position 3. Isolated from Ligusticum porteri, it exhibits  hypoglycemic activity. It has the role of metabolite. It has the role of hypoglycemic agent. It has the role of EC 3.2.1.20 (alpha-glucosidase) inhibitor. Its functional parent is 2-benzofuran-1(3H)-one. It is also related to or classified as gamma-lactone . It is also related to or classified as 2-benzofurans.
The molecule <smiles>Oc1ccc(O)c(c1)S(O)(=O)=O</smiles> is A dihydroxybenzenesulfonic acid that is hydroquinone in which one of the phenyl hydrogens is substituted by a sulfonic acid group. It has the role of metabolite. Its functional parent is hydroquinone. It is also related to or classified as hydroquinones . It is also related to or classified as dihydroxybenzenesulfonic acid.
The molecule <smiles>CCC\C=C1OC(=O)C2=C/1CCC=C2</smiles> is (Z)-ligustilide. It has the role of metabolite. It is also related to or classified as butenolide .
The molecule <smiles>[H][C@@]12CC[C@]3(\C(OC(=O)C3=C1)=C\CCC)[C@@]1([H])C3=C(CC[C@@]21[H])\C(OC3=O)=C\CCC</smiles> is (Z)-6,6',7,3'a-Diligustilide. It has the role of metabolite. It is also related to or classified as butenolide .
The molecule <smiles>O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1ccccc1</smiles> is (11S,14S)-Cyclo-(L-Trp-L-Phe). It has the role of Aspergillus metabolite. It is also related to or classified as indoles.
The molecule <smiles>COC(=O)c1c(O)ccc2oc3cc(C)cc(O)c3c(=O)c12</smiles> is A member of the class of xanthones that is methyl 9H-xanthene-1-carboxylate substituted by hydroxy groups at positions 2 and 8, a methyl group at position 6 and an oxo group at position 9. It has been isolated from Aspergillus sydowii. It has the role of Aspergillus metabolite. It is also related to or classified as methyl ester . It is also related to or classified as polyphenol, xanthones, aromatic ester.
The molecule <smiles>COC(=O)c1c(O)ccc2oc3cc(CO)cc(O)c3c(=O)c12</smiles> is A member of the class of xanthones that is methyl 9H-xanthene-1-carboxylate substituted by hydroxy group at positions 2 and 8, a hydroxymethyl group at position 6 and an oxo group at position 9. It has been isolated from the sea fan derived fungus Aspergillus sydowii. It has the role of Aspergillus metabolite. It is also related to or classified as polyphenol, xanthones, aromatic ester.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C</smiles> is an N-acyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 28 carbons and 0 double bonds and is 2-hydroxylated. Its functional parent is 15-methylhexadecaphytosphingosine. It is also related to or classified as N-acyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine .
The molecule <smiles>COC(=O)c1cccc2oc3cc(CO)cc(O)c3c(=O)c12</smiles> is A member of the class of xanthones that is methyl 9-oxo-9H-xanthene-1-carboxylate substituted by a hydroxy group at position 8 and a hydroxymethyl group at position 6. It has been isolated from the sea fan derived fungus Aspergillus sydowii. It has the role of Aspergillus metabolite. It is also related to or classified as phenols . It is also related to or classified as xanthones, aromatic ester.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C</smiles> is an N-acyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 27 carbons and 0 double bonds and is 2-hydroxylated. Its functional parent is 15-methylhexadecaphytosphingosine. It is also related to or classified as N-acyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine .
The molecule <smiles>COC(=O)c1cccc2oc3cc(C)cc(O)c3c(=O)c12</smiles> is A  member of the class of xanthones that is 9H-xanthene substituted by a hydroxy group at position 8. a methyl group at position 6, an oxo group at position 9 and a  methoxy carbonyl at position 1. It has been isolated from the fungus Aspergillus sydowii. It has the role of Aspergillus metabolite. It is also related to or classified as phenols . It is also related to or classified as xanthones, aromatic ester.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C</smiles> is an N-acyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 28 carbons and 0 double bonds. Its functional parent is 15-methylhexadecaphytosphingosine. It is also related to or classified as N-acyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine .
The molecule <smiles>COC(=O)[C@]1(O)[C@H](O)CCc2oc3cc(C)cc(O)c3c(=O)c12</smiles> is A member of the class of xanthones that is methyl 2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8, a methyl group at position 6 and an oxo group at position 9 (the 1R,2R stereoisomer). It has been isolated from the sea fan derived fungus Aspergillus sydowii. It has the role of Aspergillus metabolite. It is also related to or classified as methyl ester . It is also related to or classified as tertiary alcohol . It is also related to or classified as phenols . It is also related to or classified as secondary alcohol . It is also related to or classified as xanthones.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCC(C)C</smiles> is an N-acyl-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine in which the acyl group has 28 carbons and 0 double bonds and is 2-hydroxylated. Its functional parent is 15-methylhexadecasphing-4-enine. It is also related to or classified as N-acyl-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine .
The molecule <smiles>COC(=O)[C@H]1[C@H](O)C=Cc2oc3cc(CO)cc(O)c3c(=O)c12</smiles> is A member of the class of xanthones that is methyl (1S)-2,9-dihydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 2 and 8, a hydroxymethyl group at position 6 and an oxo group at position 9. It has been isolated from the sea fan derived fungus Aspergillus sydowii. It has the role of antioxidant. It has the role of Aspergillus metabolite. It is also related to or classified as methyl ester . It is also related to or classified as phenols . It is also related to or classified as aromatic primary alcohol . It is also related to or classified as secondary alcohol . It is also related to or classified as xanthones.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C</smiles> is an N-acyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 26 carbons and 0 double bonds and is 2-hydroxylated. Its functional parent is 15-methylhexadecaphytosphingosine. It is also related to or classified as N-acyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine .
The molecule <smiles>CC(C)CCC[C@](C)(O)c1ccc(cc1O)C(O)=O</smiles> is A  sesquiterpenoid that is benzoic acid substituted by a hydroxy group at position 3 and a (2S)-2-hydroxy-6-methylheptan-2-yl group at position 4. It has been isolated from the sea fan derived fungus Aspergillus sydowii. It has the role of Aspergillus metabolite.   It is also related to or classified as aromatic alcohol . It is also related to or classified as monohydroxybenzoic acid, sesquiterpenoid.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C</smiles> is an N-acyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 27 carbons and 0 double bonds. Its functional parent is 15-methylhexadecaphytosphingosine. It is also related to or classified as N-acyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine .
The molecule <smiles>COC(=O)[C@]1(O)[C@H](O)CCc2oc3cc(CO)cc(O)c3c(=O)c12</smiles> is A member of the class of xanthones that is methyl (1R)-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8, a hydroxymethyl group at position 6 and an oxo group at position 9. It has been isolated from the sea fan derived fungus Aspergillus sydowii. It has the role of Aspergillus metabolite. It is also related to or classified as methyl ester . It is also related to or classified as tertiary alcohol . It is also related to or classified as phenols . It is also related to or classified as aromatic primary alcohol . It is also related to or classified as secondary alcohol . It is also related to or classified as xanthones.