天然产物 - 小分子和化合物库

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芹菜素
- ≥98%
CAS号: 520-36-5 EC号: 208-292-3

分子式: C₁₅H₁₀O₅ 分子量: 270.24

IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O

InChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-N

InChI: 1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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蒿甲醚
- ≥98%
CAS号: 71963-77-4

分子式: C₁₆H₂₆O₅ 分子量: 298.38

IUPAC Name: (1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

SMILES: CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC)C

InChIKey: SXYIRMFQILZOAM-HVNFFKDJSA-N

InChI: 1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1
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脱落酸(天然)
- ≥98%
CAS号: 21293-29-8 EC号: 244-319-5

分子式: C₁₅H₂₀O₄ 分子量: 264.32

IUPAC Name: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid

SMILES: CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C

InChIKey: JLIDBLDQVAYHNE-YKALOCIXSA-N

InChI: 1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1
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氨茶碱
CAS号: 317-34-0 EC号: 206-264-5

分子式: C₁₆H₂₄N₁₀O₄ 分子量: 420.43

IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione;ethane-1,2-diamine

SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N

InChIKey: FQPFAHBPWDRTLU-UHFFFAOYSA-N

InChI: 1S/2C7H8N4O2.C2H8N2/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h2*3H,1-2H3,(H,8,9);1-4H2
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天然脱落酸
- ≥95%(HPLC)
CAS号: 21293-29-8 EC号: 244-319-5

分子式: C₁₅H₂₀O₄ 分子量: 264.32

IUPAC Name: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid

SMILES: CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C

InChIKey: JLIDBLDQVAYHNE-YKALOCIXSA-N

InChI: 1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1
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氧化苦参碱
- ≥98%(HPLC)
CAS号: 16837-52-8

分子式: C₁₅H₂₄N₂O₂ 分子量: 264.36

IUPAC Name: (1R,2R,9S,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one

SMILES: C1CC2C3CCC[N+]4(C3C(CCC4)CN2C(=O)C1)[O-]

InChIKey: XVPBINOPNYFXID-LHDUFFHYSA-N

InChI: 1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17?/m0/s1
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甲位戊基桂醛
- ≥97%
CAS号: 122-40-7 EC号: 204-541-5

分子式: C₁₄H₁₈O 分子量: 202.29

IUPAC Name: (2Z)-2-benzylideneheptanal

SMILES: CCCCCC(=CC1=CC=CC=C1)C=O

InChIKey: HMKKIXGYKWDQSV-KAMYIIQDSA-N

InChI: 1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11-
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乙酰乌头碱
CAS号: 77181-26-1

分子式: C₃₆H₄₉NO₁₂ 分子量: 687.77

IUPAC Name: [(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)OC(=O)C)COC

InChIKey: RIPYIJVYDYCPKW-UOGIXDCTSA-N

InChI: 1S/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17See more
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脱落酸(天然)
- ≥90%(HPLC)
CAS号: 21293-29-8 EC号: 244-319-5

分子式: C₁₅H₂₀O₄ 分子量: 264.32

IUPAC Name: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid

SMILES: CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C

InChIKey: JLIDBLDQVAYHNE-YKALOCIXSA-N

InChI: 1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1
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芹菜素
- ≥98%(HPLC)
CAS号: 520-36-5 EC号: 208-292-3

分子式: C₁₅H₁₀O₅ 分子量: 270.24

IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O

InChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-N

InChI: 1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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桃叶珊瑚苷
- ≥98%
CAS号: 479-98-1 EC号: 207-540-8

分子式: C₁₅H₂₂O₉ 分子量: 346.33

IUPAC Name: (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

SMILES: C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O

InChIKey: RJWJHRPNHPHBRN-FKVJWERZSA-N

InChI: 1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1
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穗花杉双黄酮
- ≥99%(HPLC)
CAS号: 1617-53-4

分子式: C₃₀H₁₈O₁₀ 分子量: 538.46

IUPAC Name: 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O

InChIKey: YUSWMAULDXZHPY-UHFFFAOYSA-N

InChI: 1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H
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