|
中药名
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PUBCHEM_CID
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SMILES
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IUPAC_NAME
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MOLECULAR_FORMULAS
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MONOISOTOPIC_MASS
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来源拉丁名
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数据来源
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桑白皮
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1335
|
C1C(C(C(N1)CO)O)O
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2-(hydroxymethyl)pyrrolidine-3,4-diol
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C5H11NO3
|
133.07389321
|
Morus australis,Morus alba,Morus bombycis
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LOTUS
|
|
桑白皮
|
1374
|
C1C(C(C(C(N1)CO)O)O)O
|
2-(hydroxymethyl)piperidine-3,4,5-triol
|
C6H13NO4
|
163.0844579
|
Morus alba,Morus bombycis,Morus australis
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COCONUT,LOTUS
|
|
桔梗
|
1738
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COC1=C(C=CC(=C1)CC(=O)O)O
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2-(4-hydroxy-3-methoxyphenyl)acetic acid
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C9H10O4
|
182.0579088
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Platycodon grandiflorus
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中药天然产物大全
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|
橘红
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1780
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CCCCCC#CCC#CCC#CCC#CCCCC(=O)O
|
icosa-5,8,11,14-tetraynoic acid
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C20H24O2
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296.177630004
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Citrus unshiu,Citrus reticulata
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COCONUT
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|
橘红
|
1826
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C1=CC2=C(C=C1O)C(=CN2)CC(=O)O
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2-(5-hydroxy-1H-indol-3-yl)acetic acid
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C10H9NO3
|
191.058243149
|
Citrus maxima,Citrus reticulata
|
FooDB
|
|
橘红
|
1864
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CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)O
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N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide
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C13H16N2O3
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248.11609238
|
Citrus reticulata,Citrus maxima
|
FooDB
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|
橘红,甘草
|
1889
|
C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O
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7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
|
C15H12O4
|
256.07355886
|
Citrus reticulata,Citrus maxima,Glycyrrhiza uralensis,Glycyrrhiza glabra,Glycyrrhiza inflata
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COCONUT,FooDB
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桑白皮,橘红
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2116
|
CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C
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2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
|
C29H50O2
|
430.381080833
|
Citrus maxima,Citrus reticulata,Morus alba
|
FooDB,中药天然产物大全
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|
橘红
|
2153
|
CN1C(=O)C2=C(N=CN2)N(C)C1=O
|
1,3-dimethyl-7~{H}-purine-2,6-dione
|
C7H8N4O2
|
180.06472551
|
Citrus grandis,Citrus maxima
|
COCONUT,LOTUS
|
|
桑白皮,甘草
|
2244
|
CC(=O)OC1=CC=CC=C1C(=O)O
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2-acetyloxybenzoic acid
|
C9H8O4
|
180.04225873
|
Glycyrrhiza glabra,Morus australis
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COCONUT,LOTUS
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