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] | 5 | 49 | true | CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COC(=O)CCCCCC=CCC=CCC=CCC=CCCCCC)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC | [M+H]+ | Triacylglycerols |
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] | 5 | 49 | true | CC(C)=CC1NCCc2c[nH]c3cccc1c23 | [M+H]+ | Ergot alkaloids |
255.195465 | 1 | [
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] | 5 | 49 | true | COc1cc2c3c(c1OC)C1(C=CC(O)CC1)CC3N(C)CC2 | [M-H]- | Isoquinoline alkaloids |
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] | 5 | 49 | true | CN1CC2(C)CCCC34C1C(CC23)C12CCC(CC14)C(O)(CO)C2=O | [M+H]+ | Terpenoid alkaloids |
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1
] | 5 | 49 | true | CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(=O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC4(C)C2(CO)CC3)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O | [M+H]+ | Oleanane triterpenoids |
241.050629 | -1 | [
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1
] | 5 | 49 | true | Cc1cc2oc3cccc(O)c3c(=O)c2cc1O | [M-H]- | Methyl xanthones |
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] | 5 | 49 | true | CCC1(C(=O)O)CC(C(=O)OC)C2=Nc3cc(OC)ccc3C23CCN(CCO)C13 | [M+H]+ | Aspidosperma type |
256.130005 | 1 | [
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] | 5 | 49 | true | CC1(C)CCc2cc3oc4cc(O)cc(O)c4c(=O)c3c(O)c2O1 | [M+H]+ | Methyl xanthones |
735.650818 | -1 | [
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308.05069 | 1 | [
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366.032104 | -1 | [
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] | 5 | 49 | true | CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CC(O)C3(C)C1C2C | [M-H]- | Spirostane steroids |
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] | 5 | 49 | true | COC1=CC23CN(C)C(C)(C=C2CC1=O)Cc1cc(O)c(OC)c(OC)c13 | [M+H]+ | Isoquinoline alkaloids |
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] | 5 | 49 | true | CCCC(=O)c1c(O)c(CC=C(C)C)c(O)c2c(-c3ccccc3)cc(=O)oc12 | [M-H]- | Furocoumarins |
597.14447 | 1 | [
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343.039886 | 1 | [
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597.466614 | 1 | [
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] | 5 | 49 | true | COC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC | [M+H]+ | Carotenoids (C40, Ψ-Ψ) |
571.238525 | 1 | [
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1
] | 5 | 49 | true | CC1=CC2CC34OC3(C(O)CC3(C)C5CCC6C(=CC5(O)CC34)C=CC(=O)OC6(C)C)C(C)C2OC1=O | [M+H]+ | Cycloartane triterpenoids |
526.281006 | -1 | [
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1
] | 5 | 49 | true | C=C1CC23CC(=O)C4C5(C)CN(C)C6C2C(OC(C)=O)C1CC3C64CC(OC(=O)C(C)CC)C5OC(C)=O | [M-H]- | Terpenoid alkaloids |
155.144135 | -1 | [
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240.06662 | -1 | [
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] | 5 | 49 | true | C=CC(C)(CO)n1cc(CC2NC(=O)C(CC=CC)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C(=O)O)N(C)C(=O)C(C)NC(=O)C(Cc3ccc(O)c([N+](=O)[O-])c3)NC(=O)C(CC(C)C)N(C)C2=O)c2ccccc21 | [M+H]+ | Cyclic peptides |
254.059402 | 1 | [
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455.353058 | -1 | [
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] | 5 | 49 | true | CC(C)C12CCC3(CCC4(C)C(CCC5C6(C)CCC(=O)C(C)(C)C6CCC54C)C3O1)CO2 | [M-H]- | Lupane triterpenoids |
479.518646 | 1 | [
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] | 5 | 49 | true | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCC | [M+H]+ | Oxygenated hydrocarbons |
239.056107 | -1 | [
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1
] | 5 | 49 | true | COC(=O)C1=COC2OCC3OC(=O)CC1C32 | [M-H]- | Iridoids monoterpenoids |
103.04982 | -1 | [
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1
] | 5 | 49 | true | CC(C)C1=C2CC(=O)CCC2C(C)CC1 | [M+H]+ | Cadinane sesquiterpenoids |