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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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马鞭草
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5250
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CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)NC1
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5'',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2''-piperidine]-16-ol
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C27H43NO2
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413.329379614
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Verbena officinalis
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FooDB
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板蓝根,柴胡,败酱草,连翘
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5281
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CCCCCCCCCCCCCCCCCC(=O)O
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stearic acid
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C18H36O2
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284.271530387
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Bupleurum scorzonerifolium,Bupleurum chinense,Forsythia suspensa,Isatis tinctoria,Patrinia villosa
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COCONUT
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马鞭草
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5408
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CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12
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17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
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C19H28O2
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288.208930132
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Verbena officinalis
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FooDB
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甘草
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5417
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COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
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2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
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C21H25NO4
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355.17835828
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Glycyrrhiza uralensis
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COCONUT
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马鞭草
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5429
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CN1C=NC2=C1C(=O)NC(=O)N2C
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3,7-dimethylpurine-2,6-dione
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C7H8N4O2
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180.06472551
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Verbena officinalis
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FooDB
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虎杖
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5566
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CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
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10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
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C21H24F3N3S
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407.16430344
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Polygonum cuspidatum
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COCONUT
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甘草
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5757
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C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O
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(8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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C18H24O2
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272.177630004
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Glycyrrhiza inflata
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COCONUT
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马鞭草
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5779
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C([C@@H]1[C@H]([C@H](C(O1)O)O)O)O
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(3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
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C5H10O5
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150.05282342
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Verbena officinalis
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FooDB
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马鞭草
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5780
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C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O
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(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
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C6H14O6
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182.07903816
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Verbena officinalis
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FooDB
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马鞭草
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5789
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CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
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1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
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C10H14N2O5
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242.09027155
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Verbena officinalis
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FooDB
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