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191.070267 | 1 | [
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466.296295 | -1 | [
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] | 5 | 49 | true | CC1=CC=CCC(C)NC(=O)C=CC=CC=CC(C)C(O)CC(O)CC(O)C=CC=CC(C)=C1 | [M-H]- | Macrolide lactams |
286.144897 | -1 | [
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] | 5 | 49 | true | CCC(C)CC(NC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCc1ccc(OS(=O)(=O)O)cc1 | [M+H]+ | Dipeptides |
569.312012 | -1 | [
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] | 5 | 49 | true | CC=C(C)C(=O)OC1CC(O)C2(C)COC3C(O)C4(C)C5=C(C)C(c6ccoc6)CC5OC(OCC)CC4C1(C)C32 | [M-H]- | Limonoids |
177.054626 | 1 | [
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] | 5 | 49 | true | COc1cc(CCCc2cc(OC)c(OC)cc2O)ccc1O | [M+H]+ | null |
317.139435 | -1 | [
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219.112808 | 1 | [
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] | 5 | 49 | true | CC(C)=CC=CC(C)C1CCC(C)C23C(=O)C=C(C)C2C13 | [M-H]- | null |
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] | 5 | 49 | true | CC1=C2C(=O)C3C(CC(O)C4CC(O)C(O)C(O)C43C)C2CCC12OC1CC(C)CNC1C2C | [M-H]- | Steroidal alkaloids |
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287.20166 | -1 | [
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345.134308 | -1 | [
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] | 5 | 49 | true | N=C(N)NCCCC(NCC(=O)O)C(=O)O | [M-H]- | Aminoacids |
199.16925 | 1 | [
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] | 5 | 49 | true | CN1C(CC(O)c2ccccc2)CCCC1CC(O)c1ccccc1 | [M-H]- | Piperidine alkaloids |
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249.149612 | -1 | [
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] | 5 | 49 | true | CC12C=CC3CC(CO)CCC3C1C(=O)CCO2 | [M-H]- | Monacolins and Monacolin derivatives |
195.065186 | 1 | [
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302.138672 | 1 | [
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] | 5 | 49 | true | CN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5 | [M+H]+ | Isoquinoline alkaloids |
226.100006 | 1 | [
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] | 5 | 49 | true | CCCCCCCCCC(=O)NCCc1ccc(O)cc1 | [M+H]+ | N-acyl amines |
279.160187 | -1 | [
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] | 5 | 49 | true | CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C | [M+H]+ | Triacylglycerols |
Subsets and Splits