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206.081161 | 1 | [
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321.073486 | 1 | [
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651.171936 | -1 | [
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] | 5 | 49 | true | COc1c(O)cc(C2Oc3c(Cc4c(O)cc(O)c5c4OC(c4cc(O)c(OC)c(O)c4)C(O)C5)c(O)cc(O)c3CC2O)cc1O | [M-H]- | Flavan-3-ols |
175.123001 | 1 | [
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251.091461 | -1 | [
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472.216125 | -1 | [
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487.342896 | -1 | [
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303.232941 | -1 | [
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] | 5 | 49 | true | C=CC1(C)CCC2(C)C(CC=C3C2CCC(O)C3(C)CO)C1 | [M-H]- | Norpimarane and Norisopimarane diterpenoids |
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] | 5 | 49 | true | C=C(C)C#CC1=CC(O)C2OC2(CC=C(C)C)C1O | [M-H]- | Miscellaneous meroterpenoids |
243.122696 | 1 | [
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523.170105 | -1 | [
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911.479858 | -1 | [
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1
] | 5 | 49 | true | CC1(C)CCCC2(C)OC3CCC(C)(C4CC5CCC6(C)c7c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c7CC6C5(C)C4)C3(C)CCC12 | [M+H]+ | Oleanane triterpenoids |
493.329987 | 1 | [
265.02899169921875,
265.06298828125,
282.06298828125,
282.093994140625,
395.1419982910156,
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1,
0.11999999731779099,
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0.12300000339746475,
0.004999999888241291
] | 14 | 37 | false | CC(C)=CCCC(C(=O)O)C1C(O)CC2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C | [M+Na]+ | Lanostane, Tirucallane and Euphane triterpenoids |
352.149994 | 1 | [
312.1570129394531,
323.1730041503906,
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352.1130065917969,
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1,
0.007000000216066837
] | 14 | 31 | false | COC1=CC2C3Cc4ccc(OC)c(O)c4C2(CCN3C)CC1=O | [M+Na]+ | Isoquinoline alkaloids |
423.216583 | 1 | [
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] | 5 | 49 | true | CC(C)CC(N)C(=O)NC(CO)C(O)C(O)C(O)C(=O)NC(CC(=O)O)c1ccccc1 | [M+H]+ | Dipeptides |
Subsets and Splits