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349.130005 | 1 | [
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308.139343 | 1 | [
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387.181305 | -1 | [
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417.240295 | 1 | [
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515.206421 | 1 | [
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347.170013 | 1 | [
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1
] | 5 | 49 | true | CC(C)CC1NC(=O)C(NC(=O)C2CCC(=O)N2)C(C(C)C)c2ccc3c4c([nH]c3c2)-n2cnc(c2)CC(C(=O)NC(Cc2c[nH]cn2)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(C4)NC(=O)C(C(C)C)NC1=O | [M+H]+ | Cyclic peptides |
289.253693 | -1 | [
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1
] | 5 | 49 | true | CC(=CCO)CCC1=C(C)CCC2C(C)(C)CCCC12C | [M-H]- | Labdane diterpenoids |
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] | 5 | 49 | true | CCC1CN2CCC1C=C2c1[nH]c2ccccc2c1CCO | [M+H]+ | Corynanthe type |
333.100006 | 1 | [
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211.112839 | -1 | [
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] | 5 | 49 | true | Cc1ccc2c(C)ccc3c2c1OC3(C)C | [M-H]- | Cadinane sesquiterpenoids |
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] | 5 | 49 | true | CC1CCC23OC(CCC2(C)C1CCC1(O)C(C)CCC2OC(C)(C)C(=O)CCC21C)C(C)(C)O3 | [M+H]+ | Bauerane triterpenoids |
211.096481 | 1 | [
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261.138611 | 1 | [
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436.234314 | 1 | [
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350.15979 | 1 | [
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355.20163 | 1 | [
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619.256226 | -1 | [
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235.216904 | 1 | [
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] | 5 | 49 | true | CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C(O)CCC12 | [M+H]+ | Androstane steroids |
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215.070282 | 1 | [
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0.0034858821891248226,
0.11289278417825699,
0.011005427688360214,
0.07942831516265869,
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0.002689109183847904,
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0.019022956490516663,
0.0011951596243306994,
0.002290722681209445,
0.0030874956864863634,
0.04013744369149208,
0.09974602609872818,
0.10308251529932022,
0.12852945923805237,
0.04895174503326416,
0.001892336062155664,
0.013395747169852257,
0.007270554080605507,
0.022309646010398865,
0.00781833566725254,
0.02445097267627716,
0.006822369527071714,
0.004531646613031626,
0.03909168019890785,
0.015039091929793358,
0.0005477814702317119,
0.003685075556859374,
0.003884268691763282,
0.03406205028295517,
0.014292117208242416,
0.019421342760324478,
0.004531646613031626,
0.06264628469944,
0.0020915293134748936,
0.003983865492045879,
0.13913649320602417,
0.02873362973332405,
0.0416811928153038,
0.0006971764378249645,
0.017031025141477585,
0.04715900495648384,
0.030127981677651405,
1
] | 5 | 49 | true | CNC1=NC(=O)C(=Cc2c[nH]c3ccccc23)N1C | [M-H]- | Imidazole alkaloids |
701.299988 | 1 | [
499.1969909667969,
701.2949829101562,
702.3040161132812,
702.530029296875,
707.3159790039062,
707.4860229492188,
708.2969970703125,
709.31201171875
] | [
0.07699999958276749,
0.4909999966621399,
0.21199999749660492,
0.1340000033378601,
1,
0.4819999933242798,
0.13099999725818634,
0.12099999934434891
] | 5 | 37 | false | COc1ccc2[nH]c3c(c2c1)CN(C(=O)C(CCSC)Nc1ccc2c(cc1=O)C(NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)CC3 | [M+H]+ | Phenethylisoquinoline alkaloids |