Hmdb loader

Showing metabocard for Notoginsenoside R9 (HMDB0041375)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 03:03:17 UTC
Update Date2022-03-07 02:56:59 UTC
HMDB IDHMDB0041375
Secondary Accession Numbers
  • HMDB41375
Metabolite Identification
Common NameNotoginsenoside R9
DescriptionNotoginsenoside R9 belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Notoginsenoside R9 is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Data?1563863656
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0041375 (Notoginsenoside R9)


  Mrv0541 05061312372D          

 46 50  0  0  0  0            999 V2000
   -2.2979   -0.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5830   -0.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5830    1.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D MOL for HMDB0041375 (Notoginsenoside R9)

HMDB0041375
     RDKit          3D
Notoginsenoside R9
108112  0  0  0  0  0  0  0  0999 V2000
    8.6845    0.9880   -0.8987 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3554   -0.4749   -0.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3095   -1.3623   -1.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4100   -0.8014    0.5802 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9484   -0.6890   -1.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    0.1726   -0.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0438   -0.3724    0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1385    0.4333    1.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0663    1.3526    1.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5321   -0.3868    2.0231 O   0  0  0  0  0  0  0  0  0  0  0  0
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 40100  1  0
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 44104  1  0
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 46106  1  0
 46107  1  0
 46108  1  0
M  END
Download

3D SDF for HMDB0041375 (Notoginsenoside R9)


  Mrv0541 05061312372D          

 46 50  0  0  0  0            999 V2000
   -2.2979   -0.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5830   -0.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8694   -0.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8694    0.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8616    1.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5830    1.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5830    1.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8694    2.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8694    3.1938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1545    1.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6303    2.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1143    1.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6303    0.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1545    1.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2979    1.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2979    0.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0129    1.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7266    0.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7266   -0.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4416   -0.5183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5422   -1.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0129   -0.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4822   -1.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1012    3.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8857    2.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6702    2.7398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1411    3.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9481    3.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2035    4.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8177    5.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0106    4.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8395    5.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1817    4.0992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5830   -1.3432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8694   -1.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8694   -2.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5830   -2.9930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2738   -2.9930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1545   -3.8180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0680    0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
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  8 10  1  0  0  0  0
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 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
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 36 37  1  0  0  0  0
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 39 43  1  0  0  0  0
 40 41  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0041375

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)(O)C\C=C\C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C36H62O10/c1-31(2,43)12-9-13-36(8,44)19-10-15-34(6)25(19)20(38)16-23-33(5)14-11-24(39)32(3,4)29(33)21(17-35(23,34)7)45-30-28(42)27(41)26(40)22(18-37)46-30/h9,13,19-30,37-44H,10-12,14-18H2,1-8H3/b13-9+

> <INCHI_KEY>
GWXVKQQKVGTQHX-UKTHLTGXSA-N

> <FORMULA>
C36H62O10

> <MOLECULAR_WEIGHT>
654.8715

> <EXACT_MASS>
654.434298204

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
74.01755794850986

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-({14-[(3E)-2,6-dihydroxy-6-methylhept-3-en-2-yl]-5,16-dihydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
1.78

> <JCHEM_LOGP>
1.1807879619999984

> <ALOGPS_LOGS>
-3.85

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.158394648632498

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.205556772770437

> <JCHEM_PKA_STRONGEST_BASIC>
-1.2727339337260926

> <JCHEM_POLAR_SURFACE_AREA>
180.29999999999998

> <JCHEM_REFRACTIVITY>
173.19040000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.23e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-({14-[(3E)-2,6-dihydroxy-6-methylhept-3-en-2-yl]-5,16-dihydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0041375 (Notoginsenoside R9)

HMDB0041375
     RDKit          3D
Notoginsenoside R9
108112  0  0  0  0  0  0  0  0999 V2000
    8.6845    0.9880   -0.8987 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3554   -0.4749   -0.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3095   -1.3623   -1.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4100   -0.8014    0.5802 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9484   -0.6890   -1.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    0.1726   -0.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0438   -0.3724    0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1385    0.4333    1.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0663    1.3526    1.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5321   -0.3868    2.0231 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2045    1.3384    0.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110    2.0424    1.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0659    1.3597    1.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8867    1.2296   -0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6821    2.6735   -0.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2192    0.7817   -0.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3698   -0.6510   -0.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3518   -0.7997   -1.9563 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0959   -1.0557   -1.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0033   -1.0101   -0.7014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1590   -1.8948   -0.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2674   -2.1471   -2.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6957   -3.2621   -0.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7177   -4.3200   -0.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1198   -3.8238   -0.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9823   -4.8383   -0.1828 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1865   -2.6190    0.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7142   -2.8692    1.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4041    0.7301   -0.1945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4450    1.1020    0.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6746    0.8160    0.1550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7488    1.5582    0.4711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2116    2.4950   -0.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.5610    2.2771    1.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7058    2.9641    2.1678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3480    3.1827    1.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9837    3.5946    3.0213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1932    2.5419    1.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8270    3.3226   -0.0653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2904    0.4953    0.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3160    0.4474   -0.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0126    1.0857   -1.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    1.4094   -1.7308 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1159   -1.3672   -2.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3443   -1.0292   -1.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9525   -1.6044    0.7335 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9219   -0.4178   -2.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7572    1.4143    2.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1142    0.9723    1.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0987    2.3584    1.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3948    3.1232    1.3896 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3372    2.0324    1.8299 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1717    0.3795    1.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    3.2809   -0.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5583    2.7108   -1.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1079    3.1879   -0.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4058    1.3246   -1.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4718   -1.3510   -0.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6929   -1.7279   -1.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0063   -0.3572   -2.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3075   -2.0501   -2.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4451   -1.3159    0.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4753   -1.6679   -3.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1737   -3.5357   -1.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5978   -5.0884    0.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5618   -4.9149   -1.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4782   -3.4995   -1.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3424   -5.3545   -0.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9280   -2.2265    2.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5533   -2.8304    2.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375   -3.9308    1.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8857   -1.7294    1.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9748   -1.7052   -0.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1988   -3.2396    0.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1747   -1.3319   -1.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0464   -0.4400    1.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3582    0.5336    1.6234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6208    0.8551    0.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4167    3.1710   -0.9746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5647    1.9312   -1.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5643    3.9715   -0.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3600    1.5071    2.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2294    2.4194    2.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6561    4.0939    1.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8535    2.8498    3.6562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3360    2.5864    1.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6895    2.6799   -0.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8035    0.0225    1.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4077    1.5672    0.8813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9366    0.5797   -1.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3391    2.1016   -1.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3794    1.1322   -2.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
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 25 27  1  0
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 34 35  1  0
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 31 44  1  0
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 16 11  1  0
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 30 21  1  0
 42 33  1  0
  1 47  1  0
  1 48  1  0
  1 49  1  0
  3 50  1  0
  3 51  1  0
  3 52  1  0
  4 53  1  0
  5 54  1  0
  5 55  1  0
  6 56  1  0
  7 57  1  0
  9 58  1  0
  9 59  1  0
  9 60  1  0
 10 61  1  0
 11 62  1  0
 12 63  1  0
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 15 67  1  0
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 18 72  1  0
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 33 93  1  0
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 40100  1  0
 41101  1  0
 42102  1  0
 43103  1  0
 44104  1  0
 44105  1  0
 46106  1  0
 46107  1  0
 46108  1  0
M  END
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PDB for HMDB0041375 (Notoginsenoside R9)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -4.289  -0.198   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.955  -0.967   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.623  -0.198   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.623   1.342   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.608   2.882   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.955   2.112   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.955   3.652   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.623   4.422   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -1.623   5.962   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -0.288   3.652   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.177   4.127   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.080   2.882   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.177   1.637   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.288   2.112   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.289   2.882   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -4.289   1.342   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.624   2.112   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -6.956   1.342   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -6.956  -0.198   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -8.291  -0.967   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -6.612  -2.148   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.624  -0.967   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -4.633  -2.148   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.189   6.068   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.653   5.591   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       3.118   5.114   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       2.130   7.055   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.636   7.375   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.113   8.839   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.126   9.478   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.620   9.158   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.300  10.665   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       5.939   7.652   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -2.955  -2.507   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -1.623  -3.277   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -1.623  -4.817   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -2.955  -5.587   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -0.288  -2.507   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       1.046  -3.277   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       2.378  -2.507   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       3.712  -3.277   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       2.378  -5.587   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       1.046  -4.817   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -0.288  -5.587   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      -0.288  -7.127   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      -0.127   0.580   0.000  0.00  0.00           C+0
CONECT    1    2   16   22                                                  
CONECT    2    1    3   34                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6   14                                             
CONECT    5    4                                                            
CONECT    6    4    7   16                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   14                                                  
CONECT   11   10   12   25                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14    4   10   13   46                                             
CONECT   15   16                                                            
CONECT   16    1    6   15   17                                             
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   22                                                  
CONECT   20   19                                                            
CONECT   21   22                                                            
CONECT   22    1   19   21   23                                             
CONECT   23   22                                                            
CONECT   24   25                                                            
CONECT   25   11   24   26   27                                             
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   31                                                       
CONECT   30   31                                                            
CONECT   31   29   30   32   33                                             
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34    2   35                                                       
CONECT   35   34   36   38                                                  
CONECT   36   35   37   44                                                  
CONECT   37   36                                                            
CONECT   38   35   39                                                       
CONECT   39   38   40   43                                                  
CONECT   40   39   41                                                       
CONECT   41   40                                                            
CONECT   42   43                                                            
CONECT   43   39   42   44                                                  
CONECT   44   36   43   45                                                  
CONECT   45   44                                                            
CONECT   46   14                                                            
MASTER        0    0    0    0    0    0    0    0   46    0  100    0
END
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3D PDB for HMDB0041375 (Notoginsenoside R9)

COMPND    HMDB0041375
HETATM    1  C1  UNL     1       8.685   0.988  -0.899  1.00  0.00           C  
HETATM    2  C2  UNL     1       8.355  -0.475  -0.769  1.00  0.00           C  
HETATM    3  C3  UNL     1       9.309  -1.362  -1.508  1.00  0.00           C  
HETATM    4  O1  UNL     1       8.410  -0.801   0.580  1.00  0.00           O  
HETATM    5  C4  UNL     1       6.948  -0.689  -1.327  1.00  0.00           C  
HETATM    6  C5  UNL     1       6.047   0.173  -0.482  1.00  0.00           C  
HETATM    7  C6  UNL     1       5.044  -0.372   0.229  1.00  0.00           C  
HETATM    8  C7  UNL     1       4.138   0.433   1.069  1.00  0.00           C  
HETATM    9  C8  UNL     1       5.066   1.353   1.890  1.00  0.00           C  
HETATM   10  O2  UNL     1       3.532  -0.387   2.023  1.00  0.00           O  
HETATM   11  C9  UNL     1       3.204   1.338   0.373  1.00  0.00           C  
HETATM   12  C10 UNL     1       2.411   2.042   1.476  1.00  0.00           C  
HETATM   13  C11 UNL     1       1.066   1.360   1.373  1.00  0.00           C  
HETATM   14  C12 UNL     1       0.887   1.230  -0.135  1.00  0.00           C  
HETATM   15  C13 UNL     1       0.682   2.674  -0.622  1.00  0.00           C  
HETATM   16  C14 UNL     1       2.219   0.782  -0.594  1.00  0.00           C  
HETATM   17  C15 UNL     1       2.370  -0.651  -0.967  1.00  0.00           C  
HETATM   18  O3  UNL     1       3.352  -0.800  -1.956  1.00  0.00           O  
HETATM   19  C16 UNL     1       1.096  -1.056  -1.698  1.00  0.00           C  
HETATM   20  C17 UNL     1       0.003  -1.010  -0.701  1.00  0.00           C  
HETATM   21  C18 UNL     1      -1.159  -1.895  -0.944  1.00  0.00           C  
HETATM   22  C19 UNL     1      -1.267  -2.147  -2.460  1.00  0.00           C  
HETATM   23  C20 UNL     1      -0.696  -3.262  -0.387  1.00  0.00           C  
HETATM   24  C21 UNL     1      -1.718  -4.320  -0.593  1.00  0.00           C  
HETATM   25  C22 UNL     1      -3.120  -3.824  -0.602  1.00  0.00           C  
HETATM   26  O4  UNL     1      -3.982  -4.838  -0.183  1.00  0.00           O  
HETATM   27  C23 UNL     1      -3.186  -2.619   0.325  1.00  0.00           C  
HETATM   28  C24 UNL     1      -2.714  -2.869   1.689  1.00  0.00           C  
HETATM   29  C25 UNL     1      -4.670  -2.254   0.364  1.00  0.00           C  
HETATM   30  C26 UNL     1      -2.477  -1.472  -0.400  1.00  0.00           C  
HETATM   31  C27 UNL     1      -2.579  -0.229   0.387  1.00  0.00           C  
HETATM   32  O5  UNL     1      -3.404   0.730  -0.195  1.00  0.00           O  
HETATM   33  C28 UNL     1      -4.445   1.102   0.649  1.00  0.00           C  
HETATM   34  O6  UNL     1      -5.675   0.816   0.155  1.00  0.00           O  
HETATM   35  C29 UNL     1      -6.749   1.558   0.471  1.00  0.00           C  
HETATM   36  C30 UNL     1      -7.212   2.495  -0.625  1.00  0.00           C  
HETATM   37  O7  UNL     1      -8.330   3.182  -0.123  1.00  0.00           O  
HETATM   38  C31 UNL     1      -6.561   2.277   1.782  1.00  0.00           C  
HETATM   39  O8  UNL     1      -7.706   2.964   2.168  1.00  0.00           O  
HETATM   40  C32 UNL     1      -5.348   3.183   1.744  1.00  0.00           C  
HETATM   41  O9  UNL     1      -4.984   3.595   3.021  1.00  0.00           O  
HETATM   42  C33 UNL     1      -4.193   2.542   1.031  1.00  0.00           C  
HETATM   43  O10 UNL     1      -3.827   3.323  -0.065  1.00  0.00           O  
HETATM   44  C34 UNL     1      -1.290   0.495   0.649  1.00  0.00           C  
HETATM   45  C35 UNL     1      -0.316   0.447  -0.506  1.00  0.00           C  
HETATM   46  C36 UNL     1      -1.013   1.086  -1.680  1.00  0.00           C  
HETATM   47  H1  UNL     1       8.080   1.409  -1.731  1.00  0.00           H  
HETATM   48  H2  UNL     1       8.471   1.541   0.036  1.00  0.00           H  
HETATM   49  H3  UNL     1       9.740   1.065  -1.219  1.00  0.00           H  
HETATM   50  H4  UNL     1       9.116  -1.367  -2.589  1.00  0.00           H  
HETATM   51  H5  UNL     1      10.344  -1.029  -1.245  1.00  0.00           H  
HETATM   52  H6  UNL     1       9.200  -2.389  -1.069  1.00  0.00           H  
HETATM   53  H7  UNL     1       8.953  -1.604   0.734  1.00  0.00           H  
HETATM   54  H8  UNL     1       6.922  -0.418  -2.381  1.00  0.00           H  
HETATM   55  H9  UNL     1       6.686  -1.749  -1.116  1.00  0.00           H  
HETATM   56  H10 UNL     1       6.172   1.229  -0.419  1.00  0.00           H  
HETATM   57  H11 UNL     1       4.946  -1.448   0.150  1.00  0.00           H  
HETATM   58  H12 UNL     1       4.757   1.414   2.939  1.00  0.00           H  
HETATM   59  H13 UNL     1       6.114   0.972   1.898  1.00  0.00           H  
HETATM   60  H14 UNL     1       5.099   2.358   1.469  1.00  0.00           H  
HETATM   61  H15 UNL     1       3.986  -0.397   2.881  1.00  0.00           H  
HETATM   62  H16 UNL     1       3.824   2.166  -0.082  1.00  0.00           H  
HETATM   63  H17 UNL     1       2.815   1.827   2.493  1.00  0.00           H  
HETATM   64  H18 UNL     1       2.395   3.123   1.390  1.00  0.00           H  
HETATM   65  H19 UNL     1       0.337   2.032   1.830  1.00  0.00           H  
HETATM   66  H20 UNL     1       1.172   0.379   1.869  1.00  0.00           H  
HETATM   67  H21 UNL     1       1.623   3.281  -0.471  1.00  0.00           H  
HETATM   68  H22 UNL     1       0.558   2.711  -1.737  1.00  0.00           H  
HETATM   69  H23 UNL     1      -0.108   3.188  -0.071  1.00  0.00           H  
HETATM   70  H24 UNL     1       2.406   1.325  -1.580  1.00  0.00           H  
HETATM   71  H25 UNL     1       2.472  -1.351  -0.141  1.00  0.00           H  
HETATM   72  H26 UNL     1       3.693  -1.728  -1.962  1.00  0.00           H  
HETATM   73  H27 UNL     1       1.006  -0.357  -2.550  1.00  0.00           H  
HETATM   74  H28 UNL     1       1.307  -2.050  -2.125  1.00  0.00           H  
HETATM   75  H29 UNL     1       0.445  -1.316   0.299  1.00  0.00           H  
HETATM   76  H30 UNL     1      -2.280  -1.766  -2.793  1.00  0.00           H  
HETATM   77  H31 UNL     1      -1.277  -3.218  -2.718  1.00  0.00           H  
HETATM   78  H32 UNL     1      -0.475  -1.668  -3.027  1.00  0.00           H  
HETATM   79  H33 UNL     1       0.174  -3.536  -1.058  1.00  0.00           H  
HETATM   80  H34 UNL     1      -0.284  -3.176   0.614  1.00  0.00           H  
HETATM   81  H35 UNL     1      -1.598  -5.088   0.221  1.00  0.00           H  
HETATM   82  H36 UNL     1      -1.562  -4.915  -1.541  1.00  0.00           H  
HETATM   83  H37 UNL     1      -3.478  -3.500  -1.600  1.00  0.00           H  
HETATM   84  H38 UNL     1      -4.342  -5.354  -0.959  1.00  0.00           H  
HETATM   85  H39 UNL     1      -1.928  -2.227   2.080  1.00  0.00           H  
HETATM   86  H40 UNL     1      -3.553  -2.830   2.445  1.00  0.00           H  
HETATM   87  H41 UNL     1      -2.338  -3.931   1.768  1.00  0.00           H  
HETATM   88  H42 UNL     1      -4.886  -1.729   1.307  1.00  0.00           H  
HETATM   89  H43 UNL     1      -4.975  -1.705  -0.525  1.00  0.00           H  
HETATM   90  H44 UNL     1      -5.199  -3.240   0.451  1.00  0.00           H  
HETATM   91  H45 UNL     1      -3.175  -1.332  -1.290  1.00  0.00           H  
HETATM   92  H46 UNL     1      -3.046  -0.440   1.367  1.00  0.00           H  
HETATM   93  H47 UNL     1      -4.358   0.534   1.623  1.00  0.00           H  
HETATM   94  H48 UNL     1      -7.621   0.855   0.636  1.00  0.00           H  
HETATM   95  H49 UNL     1      -6.417   3.171  -0.975  1.00  0.00           H  
HETATM   96  H50 UNL     1      -7.565   1.931  -1.512  1.00  0.00           H  
HETATM   97  H51 UNL     1      -8.564   3.971  -0.657  1.00  0.00           H  
HETATM   98  H52 UNL     1      -6.360   1.507   2.556  1.00  0.00           H  
HETATM   99  H53 UNL     1      -8.229   2.419   2.801  1.00  0.00           H  
HETATM  100  H54 UNL     1      -5.656   4.094   1.193  1.00  0.00           H  
HETATM  101  H55 UNL     1      -4.853   2.850   3.656  1.00  0.00           H  
HETATM  102  H56 UNL     1      -3.336   2.586   1.736  1.00  0.00           H  
HETATM  103  H57 UNL     1      -3.690   2.680  -0.822  1.00  0.00           H  
HETATM  104  H58 UNL     1      -0.803   0.023   1.519  1.00  0.00           H  
HETATM  105  H59 UNL     1      -1.408   1.567   0.881  1.00  0.00           H  
HETATM  106  H60 UNL     1      -1.937   0.580  -1.994  1.00  0.00           H  
HETATM  107  H61 UNL     1      -1.339   2.102  -1.327  1.00  0.00           H  
HETATM  108  H62 UNL     1      -0.379   1.132  -2.588  1.00  0.00           H  
CONECT    1    2   47   48   49
CONECT    2    3    4    5
CONECT    3   50   51   52
CONECT    4   53
CONECT    5    6   54   55
CONECT    6    7    7   56
CONECT    7    8   57
CONECT    8    9   10   11
CONECT    9   58   59   60
CONECT   10   61
CONECT   11   12   16   62
CONECT   12   13   63   64
CONECT   13   14   65   66
CONECT   14   15   16   45
CONECT   15   67   68   69
CONECT   16   17   70
CONECT   17   18   19   71
CONECT   18   72
CONECT   19   20   73   74
CONECT   20   21   45   75
CONECT   21   22   23   30
CONECT   22   76   77   78
CONECT   23   24   79   80
CONECT   24   25   81   82
CONECT   25   26   27   83
CONECT   26   84
CONECT   27   28   29   30
CONECT   28   85   86   87
CONECT   29   88   89   90
CONECT   30   31   91
CONECT   31   32   44   92
CONECT   32   33
CONECT   33   34   42   93
CONECT   34   35
CONECT   35   36   38   94
CONECT   36   37   95   96
CONECT   37   97
CONECT   38   39   40   98
CONECT   39   99
CONECT   40   41   42  100
CONECT   41  101
CONECT   42   43  102
CONECT   43  103
CONECT   44   45  104  105
CONECT   45   46
CONECT   46  106  107  108
END
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SMILES for HMDB0041375 (Notoginsenoside R9)

CC(C)(O)C\C=C\C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O
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INCHI for HMDB0041375 (Notoginsenoside R9)

InChI=1S/C36H62O10/c1-31(2,43)12-9-13-36(8,44)19-10-15-34(6)25(19)20(38)16-23-33(5)14-11-24(39)32(3,4)29(33)21(17-35(23,34)7)45-30-28(42)27(41)26(40)22(18-37)46-30/h9,13,19-30,37-44H,10-12,14-18H2,1-8H3/b13-9+
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(+)-Notoginsenoside R9HMDB
Chemical FormulaC36H62O10
Average Molecular Weight654.8715
Monoisotopic Molecular Weight654.434298204
IUPAC Name2-({14-[(3E)-2,6-dihydroxy-6-methylhept-3-en-2-yl]-5,16-dihydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional Name2-({14-[(3E)-2,6-dihydroxy-6-methylhept-3-en-2-yl]-5,16-dihydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CAS Registry Number175889-50-6
SMILES
CC(C)(O)C\C=C\C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O
InChI Identifier
InChI=1S/C36H62O10/c1-31(2,43)12-9-13-36(8,44)19-10-15-34(6)25(19)20(38)16-23-33(5)14-11-24(39)32(3,4)29(33)21(17-35(23,34)7)45-30-28(42)27(41)26(40)22(18-37)46-30/h9,13,19-30,37-44H,10-12,14-18H2,1-8H3/b13-9+
InChI KeyGWXVKQQKVGTQHX-UKTHLTGXSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassTriterpenoids
Direct ParentTriterpenoids
Alternative ParentsNot Available
SubstituentsNot Available
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.092 g/LALOGPS
logP1.78ALOGPS
logP1.18ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)12.21ChemAxon
pKa (Strongest Basic)-1.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area180.3 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity173.19 m³·mol⁻¹ChemAxon
Polarizability74.02 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+248.83531661259
DarkChem[M-H]-236.57731661259
DeepCCS[M-2H]-282.21530932474
DeepCCS[M+Na]+256.91730932474
AllCCS[M+H]+248.632859911
AllCCS[M+H-H2O]+247.932859911
AllCCS[M+NH4]+249.232859911
AllCCS[M+Na]+249.432859911
AllCCS[M-H]-233.832859911
AllCCS[M+Na-2H]-238.532859911
AllCCS[M+HCOO]-243.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Notoginsenoside R9CC(C)(O)C\C=C\C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O3333.0Standard polar33892256
Notoginsenoside R9CC(C)(O)C\C=C\C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O4232.3Standard non polar33892256
Notoginsenoside R9CC(C)(O)C\C=C\C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O5006.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Notoginsenoside R9,1TMS,isomer #1CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C)O[Si](C)(C)C5213.6Semi standard non polar33892256
Notoginsenoside R9,1TMS,isomer #2CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C5128.6Semi standard non polar33892256
Notoginsenoside R9,1TMS,isomer #3CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C5046.1Semi standard non polar33892256
Notoginsenoside R9,1TMS,isomer #4CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C5130.0Semi standard non polar33892256
Notoginsenoside R9,1TMS,isomer #5CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CC12C5121.1Semi standard non polar33892256
Notoginsenoside R9,1TMS,isomer #6CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CC12C5131.0Semi standard non polar33892256
Notoginsenoside R9,1TMS,isomer #7CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CC12C5132.2Semi standard non polar33892256
Notoginsenoside R9,1TMS,isomer #8CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CC12C5113.0Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #1CC(C)(C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C)O[Si](C)(C)C5151.4Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #10CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CC12C5009.7Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #11CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CC12C5020.8Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #12CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CC12C5000.5Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #13CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CC12C4989.2Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #14CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C4911.7Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #15CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CC12C4910.3Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #16CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CC12C4916.0Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #17CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CC12C4885.5Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #18CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CC12C4875.8Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #19CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CC12C5020.5Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #2CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C)O[Si](C)(C)C5046.0Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #20CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CC12C5028.8Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #21CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CC12C5009.0Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #22CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CC12C4988.8Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #23CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)CC12C5032.6Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #24CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)CC12C5023.2Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #25CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)CC12C5018.7Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #26CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)CC12C5031.2Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #27CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)CC12C5013.2Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #28CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)CC12C5028.8Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #3CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C)O[Si](C)(C)C5155.4Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #4CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CC12C)O[Si](C)(C)C5139.9Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #5CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CC12C)O[Si](C)(C)C5154.9Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #6CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CC12C)O[Si](C)(C)C5144.0Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #7CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CC12C)O[Si](C)(C)C5124.6Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #8CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C4971.1Semi standard non polar33892256
Notoginsenoside R9,2TMS,isomer #9CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C5028.3Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #1CC(C)(C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C)O[Si](C)(C)C4960.6Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #10CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CC12C)O[Si](C)(C)C4851.7Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #11CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CC12C)O[Si](C)(C)C4849.5Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #12CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CC12C)O[Si](C)(C)C5016.5Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #13CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CC12C)O[Si](C)(C)C5014.1Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #14CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CC12C)O[Si](C)(C)C4988.3Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #15CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CC12C)O[Si](C)(C)C4977.0Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #16CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)CC12C)O[Si](C)(C)C5029.5Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #17CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)CC12C)O[Si](C)(C)C5010.4Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #18CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)CC12C)O[Si](C)(C)C5008.7Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #19CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)CC12C)O[Si](C)(C)C5005.1Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #2CC(C)(C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C)O[Si](C)(C)C5023.5Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #20CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)CC12C)O[Si](C)(C)C4998.1Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #21CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)CC12C)O[Si](C)(C)C5004.9Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #22CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C4819.4Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #23CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CC12C4817.3Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #24CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CC12C4810.1Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #25CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CC12C4781.0Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #26CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CC12C4774.1Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #27CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CC12C4873.1Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #28CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CC12C4869.6Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #29CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CC12C4838.0Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #3CC(C)(C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CC12C)O[Si](C)(C)C5011.0Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #30CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CC12C4832.7Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #31CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)CC12C4881.4Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #32CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)CC12C4863.3Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #33CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)CC12C4859.9Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #34CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)CC12C4860.3Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #35CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)CC12C4846.8Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #36CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)CC12C4859.8Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #37CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CC12C4753.1Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #38CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CC12C4743.8Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #39CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CC12C4704.8Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #4CC(C)(C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CC12C)O[Si](C)(C)C5009.7Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #40CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CC12C4712.3Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #41CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)CC12C4770.7Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #42CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)CC12C4741.0Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #43CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)CC12C4751.2Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #44CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)CC12C4750.6Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #45CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)CC12C4737.4Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #46CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)CC12C4743.6Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #47CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)CC12C4891.7Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #48CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)CC12C4866.6Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #49CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)CC12C4870.2Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #5CC(C)(C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CC12C)O[Si](C)(C)C4984.1Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #50CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)CC12C4867.7Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #51CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)CC12C4854.7Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #52CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)CC12C4862.8Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #53CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)CC12C4911.2Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #54CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)CC12C4894.6Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #55CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)CC12C4905.6Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #56CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)CC12C4907.8Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #6CC(C)(C/C=C/C(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CC12C)O[Si](C)(C)C4975.6Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #7CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C)O[Si](C)(C)C4887.8Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #8CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CC12C)O[Si](C)(C)C4893.6Semi standard non polar33892256
Notoginsenoside R9,3TMS,isomer #9CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CC12C)O[Si](C)(C)C4887.5Semi standard non polar33892256
Notoginsenoside R9,1TBDMS,isomer #1CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C)O[Si](C)(C)C(C)(C)C5415.0Semi standard non polar33892256
Notoginsenoside R9,1TBDMS,isomer #2CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C5339.8Semi standard non polar33892256
Notoginsenoside R9,1TBDMS,isomer #3CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C5273.8Semi standard non polar33892256
Notoginsenoside R9,1TBDMS,isomer #4CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C5350.7Semi standard non polar33892256
Notoginsenoside R9,1TBDMS,isomer #5CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)CC12C5318.6Semi standard non polar33892256
Notoginsenoside R9,1TBDMS,isomer #6CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)CC12C5373.3Semi standard non polar33892256
Notoginsenoside R9,1TBDMS,isomer #7CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)CC12C5360.6Semi standard non polar33892256
Notoginsenoside R9,1TBDMS,isomer #8CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)CC12C5350.9Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #1CC(C)(C/C=C/C(C)(O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C)O[Si](C)(C)C(C)(C)C5559.2Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #10CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)CC12C5434.9Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #11CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)CC12C5473.1Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #12CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)CC12C5450.6Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #13CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)CC12C5446.2Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #14CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C5367.2Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #15CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)CC12C5345.7Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #16CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)CC12C5390.8Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #17CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)CC12C5365.5Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #18CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)CC12C5351.4Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #19CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)CC12C5453.3Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #2CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C)O[Si](C)(C)C(C)(C)C5465.0Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #20CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)CC12C5497.7Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #21CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)CC12C5479.0Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #22CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)CC12C5463.4Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #23CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)CC12C5478.3Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #24CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)CC12C5471.8Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #25CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)CC12C5467.4Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #26CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)CC12C5510.8Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #27CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)CC12C5494.1Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #28CC(C)(O)C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)CC12C5506.0Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #3CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C)O[Si](C)(C)C(C)(C)C5570.4Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #4CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)CC12C)O[Si](C)(C)C(C)(C)C5537.0Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #5CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)CC12C)O[Si](C)(C)C(C)(C)C5581.7Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #6CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)CC12C)O[Si](C)(C)C(C)(C)C5562.4Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #7CC(C)(C/C=C/C(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)CC12C)O[Si](C)(C)C(C)(C)C5553.9Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #8CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C5408.9Semi standard non polar33892256
Notoginsenoside R9,2TBDMS,isomer #9CC(C)(O)C/C=C/C(C)(O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C5470.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (Non-derivatized) - 70eV, Positivesplash10-000i-6200119000-988ba1e5d60887a572822017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Notoginsenoside R9 GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Notoginsenoside R9 10V, Positive-QTOFsplash10-0170-0000509000-d23fed4cd31b2e403cbc2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Notoginsenoside R9 20V, Positive-QTOFsplash10-004i-0000902000-b237278d470999f58ba02017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Notoginsenoside R9 40V, Positive-QTOFsplash10-00or-2101901000-96e22aa73a5ae63e43222017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Notoginsenoside R9 10V, Negative-QTOFsplash10-0uki-0100519000-07b59e85772a3d780b952017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Notoginsenoside R9 20V, Negative-QTOFsplash10-00dl-0100902000-23247dd98f373c6e3d092017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Notoginsenoside R9 40V, Negative-QTOFsplash10-006x-2000900000-6371358a0edf3ef32ba92017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Notoginsenoside R9 10V, Positive-QTOFsplash10-014i-0000009000-55c6720069760ee6f2252021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Notoginsenoside R9 20V, Positive-QTOFsplash10-05r0-5601749000-f02c42a4623ed7eb61732021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Notoginsenoside R9 40V, Positive-QTOFsplash10-0159-9502520000-94a0e8418202256bd6e92021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Notoginsenoside R9 10V, Negative-QTOFsplash10-0udi-0000009000-8b1c80cc26236657a0b42021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Notoginsenoside R9 20V, Negative-QTOFsplash10-0udi-3000149000-50ae440bbb4f5ed4bf072021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Notoginsenoside R9 40V, Negative-QTOFsplash10-052f-9000032000-826bbe391cbe233e57e92021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB021303
KNApSAcK IDC00030861
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131753127
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.