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Ursolic acid (cis-3-O-hydroxycinnamoyl-)
  Mrv2104 06072104202D          
  Mrv0541 01231311282D          
 44 49  0  0  1  0            999 V2000
    4.5011   -2.1921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8636    0.3540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1587   -0.8888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7914   -0.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3722    1.5283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2355   -0.9115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5211   -0.4992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7705   -0.9172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9500   -0.4992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7639   -1.7765    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2488   -1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500    0.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5079   -2.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9922   -2.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6874    0.7668    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5211    0.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6874   -0.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0059   -0.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4349    0.3430    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7658   -1.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4349   -0.5164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2171   -1.7825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2355    0.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7769   -0.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2240   -0.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2322   -1.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667    1.6617    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2133    0.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4349    2.1210    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5824   -2.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4074   -2.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2133    1.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1524   -0.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9445    2.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4253    2.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7883   -1.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0723   -2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3594   -1.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3626   -0.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787   -0.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0819    0.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6530    0.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3690    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22  1  1  1  0  0  0
  1 36  1  0  0  0  0
  2 33  1  0  0  0  0
  3 33  2  0  0  0  0
  4 36  2  0  0  0  0
  5 44  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 20  1  1  0  0  0
  7  8  1  0  0  0  0
  7 16  1  1  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  8 24  1  1  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
  9 26  1  6  0  0  0
 10 13  1  1  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 15 12  1  6  0  0  0
 12 23  2  0  0  0  0
 14 22  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 19  1  0  0  0  0
 15 27  1  0  0  0  0
 16 23  1  0  0  0  0
 17 21  1  0  0  0  0
 18 25  1  0  0  0  0
 19 21  1  0  0  0  0
 19 28  1  0  0  0  0
 19 33  1  1  0  0  0
 22 25  1  0  0  0  0
 27 29  1  0  0  0  0
 27 34  1  1  0  0  0
 28 32  1  0  0  0  0
 29 32  1  0  0  0  0
 29 35  1  6  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 43  2  0  0  0  0
 42 44  2  0  0  0  0
 43 44  1  0  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 — 13 of approximately 13 results

PHUB000192 Score: 1.0	Ursolic acid (cis-3-O-hydroxycinnamoyl-) precursor	C₃₉H₅₄O₅ Mono mass: 602.397124839
PHUB000193 Score: 1.0	Ursolic acid (trans-3-O-hydroxycinnamoyl-) precursor	C₃₉H₅₄O₅ Mono mass: 602.397124839
PHUB000176 Score: 0.957	maslinic acid (3-O-p-Coumaroyl-) precursor	C₃₉H₅₄O₆ Mono mass: 618.392039459
PHUB000177 Score: 0.957	maslinic acid (3-O-trans-p-Coumaroyl-) precursor	C₃₉H₅₄O₆ Mono mass: 618.392039459
PHUB000155 Score: 0.891	2-alpha-hydroxy-3-beta-{[(2Z)-3-phenyl-1-oxo-2-propenyl]oxy}olean-12-en-28-oic acid precursor	C₃₉H₅₄O₅ Mono mass: 602.397124839
PHUB000157 Score: 0.831	Alphitolic acid (3-O-p-coumaroyl-) precursor	C₃₉H₅₄O₆ Mono mass: 618.392039459
PHUB000158 Score: 0.831	Alphitolic acid (3-O-trans-p-coumaroyl-) precursor	C₃₉H₅₄O₆ Mono mass: 618.392039459
PHUB000522 Score: 0.775	24-Methyllathosterol ferulate precursor	C₃₈H₅₆O₄ Mono mass: 576.417860283
PHUB000635 Score: 0.775	Schottenol ferulate precursor	C₃₉H₅₈O₄ Mono mass: 590.433510348
PHUB000520 Score: 0.741	24-Methylcholesterol ferulate precursor	C₃₈H₅₆O₄ Mono mass: 576.417860283
PHUB000581 Score: 0.741	Campesteryl ferulate precursor	C₃₈H₅₆O₄ Mono mass: 576.417860283
PHUB000641 Score: 0.741	Sitosterol ferulate precursor	C₃₉H₅₈O₄ Mono mass: 590.433510348
PHUB000545 Score: 0.716	4-p-Coumaroylquinic acid precursor	C₁₆H₁₈O₈ Mono mass: 338.10016754
PHUB000598 Score: 0.716	Coumaroylquinic acid (p-) precursor	C₁₆H₁₈O₈ Mono mass: 338.10016754
PHUB000534 Score: 0.715	3-p-Coumaroylquinic acid 1899-30-5 precursor	C₁₆H₁₈O₈ Mono mass: 338.10016754
PHUB000558 Score: 0.715	5-p-Coumaroylquinic acid precursor	C₁₆H₁₈O₈ Mono mass: 338.10016754
PHUB002562 Score: 0.715	3-O-p-Coumaroylquinic acid 1899-30-5 precursor	C₁₆H₁₈O₈ Mono mass: 338.10016754