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612.30127 | 1 | [
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487.342896 | -1 | [
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987.838623 | -1 | [
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] | 5 | 49 | true | CC(C#CC1=C(C)CC(O)CC1(C)C)=CC=CC=CC=C(C)C=C1C=C(C2C=C3C(C)(C)CC(O)CC3(C)O2)C(=O)O1 | [M+H]+ | Carotenoids (C40, β-β) |
433.109985 | 1 | [
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441.37381 | -1 | [
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] | 5 | 49 | true | C=C(C)C1CCC2(C)C(CC=C3C4C(C)C(C)CCC4(CO)CCC32C)C1(C)CCCO | [M-H]- | Ursane and Taraxastane triterpenoids |
415.211517 | 1 | [
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285.076843 | -1 | [
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351.181305 | -1 | [
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221.039993 | 1 | [
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] | 5 | 49 | true | C=C1CCC2C(C)(CO)CCCC2(C)C1COC(C(=O)OC)C(CC(=O)OC)C(=O)OC | [M+H]+ | Drimane sesquiterpenoids |
449.160004 | 1 | [
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263.128876 | -1 | [
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] | 56 | 9 | false | C=C1CC2OC(=O)C(=C)C2C(O)C=C(C)CCC1O | [M-H]- | Germacrane sesquiterpenoids |
264.100006 | 1 | [
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] | 5 | 49 | true | Oc1ccc(C=C2c3cc(O)cc(O)c3C(c3ccc(O)cc3)C3c4cc(O)cc(O)c4-c4cc(O)ccc4C3C2c2cc(O)cc(O)c2)cc1 | [M-H]- | Oligomeric stibenes |
443.09726 | 1 | [
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] | 5 | 49 | true | COc1cc2c(-c3cc(=O)oc4c(OC)c(O)c(OC)cc34)cc(=O)oc2c(OC)c1O | [M+H]+ | Neoflavonoids |
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247.130005 | 1 | [
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] | 5 | 49 | true | COc1[nH]c(C=CC(C)CC=CC(C)CC(C)C(O)C(C)=CC(C)C)c(C)c(=O)c1OC | [M-H]- | Open-chain polyketides |
301.109985 | 1 | [
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] | 5 | 49 | true | N=C(Cc1ccccc1)SC1OC(CO)C(O)C(O)C1O | [M+H]+ | Glucosinolates |
400.25 | 1 | [
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379.247894 | 1 | [
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1
] | 5 | 49 | true | COC(O)=c1c(-c2ccc(O)c(O)c2)c2cc(O)c(O)cc2cc1=C(O)OC1C(CC(O)C(=O)O)OCC(O)C1O | [M+H]+ | null |
Subsets and Splits