Product OPENEYE NAME: [(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(E)-2-methylbut-2-enoyl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-[[(E)-2-methylbut-2-enoyl]oxymethyl]tetrahydropyran-2-yl]oxy-4,5-dihydrox
CAS Name: (E)-2-methyl-2-butenoic acid [(2R,3S,4S,5R,6S)-6-[[(2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-3-[[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(E)-2-methyl-1-oxobut-2-enoxy]-2-oxanyl]oxy]-4,5-dihydroxy-6-[[(E)-2-methyl-1-oxobut-2-enoxy]methyl]-2-oxanyl]
IUPAC NAME: [(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(E)-2-methylbut-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(E)-2-methylbut-2-enoyl]oxymethyl]oxan-2-yl]oxy-4,5-dihydroxy-6-[[(E)-2-methylbut-2
SYSTEMATIC NAME: [(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-[(E)-2-methylbut-2-enoyl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-[[(E)-2-methylbut-2-enoyl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[[(E)-2-methylbut-2-enoyl
MOLECULAR FORMULA: C44H66O25
MOLECULAR WEIGHT: 994.97984
SMILES: C/C=C(\C)/C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C(=C/C)/C)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)/C(=C/C)/C)O)COC(=O)/C(=C/C)/C)O)O)O)O)O
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Product OPENEYE NAME: 3-[(E)-3-[[4-[(4-carboxy-9-hydroxy-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydro-2-benzoxepin-9-yl)methoxycarbonyl]-9-hydroxy-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydro-2-benzoxepin-9-yl]methoxy]-2-(hydroxymethyl)-3-oxo-prop-1-enyl]-1-hydroxy-4-isopropyl-cyclo
CAS Name: 3-[(E)-3-[[4-[(4-carboxy-9-hydroxy-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepin-9-yl)methoxy-oxomethyl]-9-hydroxy-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepin-9-yl]methoxy]-2-(hydroxymethyl)-3-oxoprop-1-enyl]-1-hydroxy-4-propan-2-y
IUPAC NAME: 3-[(E)-3-[[4-[(4-carboxy-9-hydroxy-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepin-9-yl)methoxycarbonyl]-9-hydroxy-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepin-9-yl]methoxy]-2-(hydroxymethyl)-3-oxoprop-1-enyl]-1-hydroxy-4-propan-2-ylc
SYSTEMATIC NAME: 3-[(E)-3-[[4-[(4-carboxy-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepin-9-yl)methoxycarbonyl]-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepin-9-yl]methoxy]-2-(hydroxymethyl)-3-oxidanylidene-prop
MOLECULAR FORMULA: C45H62O18
MOLECULAR WEIGHT: 890.96298
SMILES: CC(C)C1CCC(C2C1C=C(COC2=O)C(=O)O)(COC(=O)C3=CC4C(CCC(C4C(=O)OC3)(COC(=O)/C(=C/C5C(CCC(C5C(=O)O)(C(=O)O)O)C(C)C)/CO)O)C(C)C)O
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MOLECULAR FORMULA: C38H56N6O9
MOLECULAR WEIGHT: 740.88604
SMILES: CCC(C)C1C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N3CCCC3C(=O)N1)NC(=O)C)C)CC4=CC=C(C=C4)OC)C)C(C)C
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MOLECULAR FORMULA: C28H33NO8
MOLECULAR WEIGHT: 511.56352
SMILES: CC(=CCCC1(C(C2=COC3=C4CN(C(=O)C4=CC(=C23)O1)C(CCC(=O)O)C(=O)O)CCC(=O)C)C)C
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Product OPENEYE NAME: 6-[(1E,3E)-6-hydroxy-1,3,5-trimethyl-hexa-1,3-dienyl]-4-methoxy-5-methyl-pyran-2-one
CAS Name: 6-[(2E,4E)-7-hydroxy-4,6-dimethylhepta-2,4-dien-2-yl]-4-methoxy-5-methyl-2-pyranone
IUPAC NAME: 6-[(2E,4E)-7-hydroxy-4,6-dimethylhepta-2,4-dien-2-yl]-4-methoxy-5-methylpyran-2-one
SYSTEMATIC NAME: 6-[(2E,4E)-4,6-dimethyl-7-oxidanyl-hepta-2,4-dien-2-yl]-4-methoxy-5-methyl-pyran-2-one
MOLECULAR FORMULA: C16H22O4
MOLECULAR WEIGHT: 278.34348
SMILES: CC1=C(OC(=O)C=C1OC)/C(=C/C(=C/C(C)CO)/C)/C
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Product OPENEYE NAME: methyl 5,6-diacetoxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-2-carboxylate
CAS Name: 5,6-diacetyloxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h][2]benzopyran-2-carboxylic acid methyl ester
IUPAC NAME: methyl 5,6-diacetyloxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-2-carboxylate
SYSTEMATIC NAME: methyl 5,6-diacetyloxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-10-oxidanyl-1,4,8-tris(oxidanylidene)-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-2-carboxylate
MOLECULAR FORMULA: C30H40O11
MOLECULAR WEIGHT: 576.632
SMILES: CC(=O)OC1C2C(C(=O)CC(C2(C3CC(=C)C4(C(C3(C1OC(=O)C)C)C(=O)OC(C4=O)(C)C(=O)OC)C)C)O)(C)C
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Product OPENEYE NAME: [5-hydroxy-3-(3-hydroxypropyl)-4-methoxy-7-methyl-6,8-dioxo-isochromen-7-yl] butanoate
CAS Name: butanoic acid [5-hydroxy-3-(3-hydroxypropyl)-4-methoxy-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester
IUPAC NAME: [5-hydroxy-3-(3-hydroxypropyl)-4-methoxy-7-methyl-6,8-dioxoisochromen-7-yl] butanoate
SYSTEMATIC NAME: [4-methoxy-7-methyl-5-oxidanyl-6,8-bis(oxidanylidene)-3-(3-oxidanylpropyl)isochromen-7-yl] butanoate
MOLECULAR FORMULA: C18H22O8
MOLECULAR WEIGHT: 366.36248
SMILES: CCCC(=O)OC1(C(=O)C2=COC(=C(C2=C(C1=O)O)OC)CCCO)C
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MOLECULAR FORMULA: C26H29N3O4
MOLECULAR WEIGHT: 447.52616
SMILES: CC1(C=CC2=C(O1)C=CC3=C2NC(=O)C34CC56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)C
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Product OPENEYE NAME: 3-(2,3-dihydroxypropyl)-13-isopropyl-10,11,14,20-tetramethyl-16-sec-butyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
CAS Name: 16-butan-2-yl-3-(2,3-dihydroxypropyl)-10,11,14,20-tetramethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
IUPAC NAME: 16-butan-2-yl-3-(2,3-dihydroxypropyl)-10,11,14,20-tetramethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
SYSTEMATIC NAME: 3-[2,3-bis(oxidanyl)propyl]-16-butan-2-yl-10,11,14,20-tetramethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
MOLECULAR FORMULA: C30H51N5O9
MOLECULAR WEIGHT: 625.75404
SMILES: CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCC(C2C(=O)N1)C)CC(CO)O)C)C)C(C)C)C
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