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Mrv2104 06072104192D

17 18  0  0  0  0            999 V2000
 9998.914110001.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.198710001.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.629510001.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9141 9998.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.771210000.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6275 9998.5263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9999.627510001.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9998.914110000.5944    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.199610000.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.1996 9999.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9141 9998.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.341310000.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.626810000.1819    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.6268 9999.3568    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.3413 9998.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.0558 9999.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.055810000.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  8  1  1  6  0  0  0
 11  4  2  0  0  0  0
 17  5  1  0  0  0  0
 11 14  1  0  0  0  0
 14  6  1  1  0  0  0
  8 13  1  0  0  0  0
 13  7  1  6  0  0  0
M  END

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(+)-Catechin
  Mrv1572001071604202D

21 23  0  0  1  0            999 V2000
    2.0414   -2.6714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269   -2.2589    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6125   -2.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1020   -2.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -2.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -3.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -2.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2454   -1.0214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1020   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -1.0214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559    0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1848    0.2161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1848   -1.4339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 13  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 14 20  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 10 11  1  0  0  0  0
  8  7  1  0  0  0  0
  4  5  1  0  0  0  0
M  END

Results 1 — 30 of approximately 32 results

PHUB000107 Score: 1.0	Cadinene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000139 Score: 1.0	Muurolene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000105 Score: 0.951	Cadinene-beta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000138 Score: 0.951	Muurolene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000152 Score: 0.95	Valencene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000051 Score: 0.925	Limonene precursor metabolite	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000103 Score: 0.925	Bisabolen-beta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000113 Score: 0.902	Copaene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000153 Score: 0.902	Ylangene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000117 Score: 0.875	Elemene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000128 Score: 0.864	Himachalen-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000129 Score: 0.864	Himachalen-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000079 Score: 0.854	Pinene-alpha precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000123 Score: 0.818	Guaiene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000106 Score: 0.809	Cadinene-delta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000151 Score: 0.809	Trans-Muurola-4(14),5-diene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000114 Score: 0.804	Cubebene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000094 Score: 0.795	Thujene-alpha precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000122 Score: 0.787	Germacrene B precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000147 Score: 0.783	Sesquiphellandrene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000030 Score: 0.773	Carene precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000142 Score: 0.766	Patchoulen-beta precursor	C₁₄H₂₂ Mono mass: 190.172150708
PHUB000351 Score: 0.74	Carotene-gamma 472-93-5 precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB002075 Score: 0.736	Akhdarenol precursor	C₂₀H₃₂O Mono mass: 288.24531565
PHUB000111 Score: 0.733	Caryophyllen-beta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000132 Score: 0.733	Isocaryophyllene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000993 Score: 0.725	Limonene-10-ol metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000078 Score: 0.717	Phellandrene-beta precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000075 Score: 0.712	Perillyl alcohol metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000076 Score: 0.712	Perillyl aldehyde precursor	C₁₀H₁₄O Mono mass: 150.104465071