Record Information |
---|
Version | 5.0 |
---|
Status | Expected but not Quantified |
---|
Creation Date | 2012-09-12 02:14:19 UTC |
---|
Update Date | 2022-03-07 02:56:41 UTC |
---|
HMDB ID | HMDB0040667 |
---|
Secondary Accession Numbers | |
---|
Metabolite Identification |
---|
Common Name | 3-trans-p-Coumaroylrotundic acid |
---|
Description | 3-trans-p-Coumaroylrotundic acid belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Based on a literature review a significant number of articles have been published on 3-trans-p-Coumaroylrotundic acid. |
---|
Structure | CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC(=O)\C=C\C6=CC=C(O)C=C6)C(C)(CO)C5CCC34C)C2C1(C)O)C(O)=O InChI=1S/C39H54O7/c1-24-15-20-39(33(43)44)22-21-36(4)27(32(39)38(24,6)45)12-13-29-34(2)18-17-30(35(3,23-40)28(34)16-19-37(29,36)5)46-31(42)14-9-25-7-10-26(41)11-8-25/h7-12,14,24,28-30,32,40-41,45H,13,15-23H2,1-6H3,(H,43,44)/b14-9+ |
---|
Synonyms | Value | Source |
---|
3-trans-p-Coumaroylrotundate | Generator | Ethanol, magnesium salt | HMDB | Ethanol, magnesium salt (2:1) | HMDB | Magnesium ethanolate | HMDB | Magnesium ethoxide | HMDB | Magnesium ethylate | HMDB | 1-Hydroxy-9-(hydroxymethyl)-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate | Generator |
|
---|
Chemical Formula | C39H54O7 |
---|
Average Molecular Weight | 634.8419 |
---|
Monoisotopic Molecular Weight | 634.386954082 |
---|
IUPAC Name | 1-hydroxy-9-(hydroxymethyl)-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid |
---|
Traditional Name | 1-hydroxy-9-(hydroxymethyl)-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid |
---|
CAS Registry Number | 144624-03-3 |
---|
SMILES | CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC(=O)\C=C\C6=CC=C(O)C=C6)C(C)(CO)C5CCC34C)C2C1(C)O)C(O)=O |
---|
InChI Identifier | InChI=1S/C39H54O7/c1-24-15-20-39(33(43)44)22-21-36(4)27(32(39)38(24,6)45)12-13-29-34(2)18-17-30(35(3,23-40)28(34)16-19-37(29,36)5)46-31(42)14-9-25-7-10-26(41)11-8-25/h7-12,14,24,28-30,32,40-41,45H,13,15-23H2,1-6H3,(H,43,44)/b14-9+ |
---|
InChI Key | WSWPNGAODCKAHB-NTEUORMPSA-N |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Prenol lipids |
---|
Sub Class | Triterpenoids |
---|
Direct Parent | Triterpenoids |
---|
Alternative Parents | |
---|
Substituents | - Triterpenoid
- Steroid
- Coumaric acid ester
- Cinnamic acid or derivatives
- Coumaric acid or derivatives
- Hydroxycinnamic acid or derivatives
- Cinnamic acid ester
- Styrene
- 1-hydroxy-2-unsubstituted benzenoid
- Fatty acid ester
- Phenol
- Benzenoid
- Fatty acyl
- Monocyclic benzene moiety
- Dicarboxylic acid or derivatives
- Enoate ester
- Alpha,beta-unsaturated carboxylic ester
- Tertiary alcohol
- Cyclic alcohol
- Carboxylic acid ester
- Carboxylic acid derivative
- Carboxylic acid
- Primary alcohol
- Alcohol
- Organic oxygen compound
- Organic oxide
- Carbonyl group
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic homopolycyclic compound
|
---|
Molecular Framework | Aromatic homopolycyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
Physiological effect | Not Available |
---|
Disposition | |
---|
Process | |
---|
Role | |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Molecular Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Experimental Chromatographic Properties | Not Available |
---|
Predicted Molecular Properties | |
---|
Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
---|
3-trans-p-Coumaroylrotundic acid,1TMS,isomer #1 | CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O[Si](C)(C)C)C=C6)C(C)(CO)C5CCC43C)C2C1(C)O | 5481.7 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,1TMS,isomer #2 | CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O)C=C6)C(C)(CO[Si](C)(C)C)C5CCC43C)C2C1(C)O | 5467.1 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,1TMS,isomer #3 | CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O)C=C6)C(C)(CO)C5CCC43C)C2C1(C)O[Si](C)(C)C | 5398.2 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,1TMS,isomer #4 | CC1CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O)C=C6)C(C)(CO)C5CCC43C)C2C1(C)O | 5302.0 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,2TMS,isomer #1 | CC1CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O[Si](C)(C)C)C=C6)C(C)(CO)C5CCC43C)C2C1(C)O | 5279.3 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,2TMS,isomer #2 | CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O[Si](C)(C)C)C=C6)C(C)(CO[Si](C)(C)C)C5CCC43C)C2C1(C)O | 5461.5 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,2TMS,isomer #3 | CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O[Si](C)(C)C)C=C6)C(C)(CO)C5CCC43C)C2C1(C)O[Si](C)(C)C | 5362.2 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,2TMS,isomer #4 | CC1CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O)C=C6)C(C)(CO[Si](C)(C)C)C5CCC43C)C2C1(C)O | 5264.0 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,2TMS,isomer #5 | CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O)C=C6)C(C)(CO[Si](C)(C)C)C5CCC43C)C2C1(C)O[Si](C)(C)C | 5346.3 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,2TMS,isomer #6 | CC1CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O)C=C6)C(C)(CO)C5CCC43C)C2C1(C)O[Si](C)(C)C | 5191.2 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,3TMS,isomer #1 | CC1CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O[Si](C)(C)C)C=C6)C(C)(CO[Si](C)(C)C)C5CCC43C)C2C1(C)O | 5223.9 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,3TMS,isomer #2 | CC1CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O[Si](C)(C)C)C=C6)C(C)(CO)C5CCC43C)C2C1(C)O[Si](C)(C)C | 5166.6 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,3TMS,isomer #3 | CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O[Si](C)(C)C)C=C6)C(C)(CO[Si](C)(C)C)C5CCC43C)C2C1(C)O[Si](C)(C)C | 5295.2 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,3TMS,isomer #4 | CC1CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O)C=C6)C(C)(CO[Si](C)(C)C)C5CCC43C)C2C1(C)O[Si](C)(C)C | 5153.6 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,1TBDMS,isomer #1 | CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O[Si](C)(C)C(C)(C)C)C=C6)C(C)(CO)C5CCC43C)C2C1(C)O | 5703.1 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,1TBDMS,isomer #2 | CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O)C=C6)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC43C)C2C1(C)O | 5702.0 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,1TBDMS,isomer #3 | CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O)C=C6)C(C)(CO)C5CCC43C)C2C1(C)O[Si](C)(C)C(C)(C)C | 5617.1 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,1TBDMS,isomer #4 | CC1CCC2(C(=O)O[Si](C)(C)C(C)(C)C)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O)C=C6)C(C)(CO)C5CCC43C)C2C1(C)O | 5537.2 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,2TBDMS,isomer #1 | CC1CCC2(C(=O)O[Si](C)(C)C(C)(C)C)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O[Si](C)(C)C(C)(C)C)C=C6)C(C)(CO)C5CCC43C)C2C1(C)O | 5712.2 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,2TBDMS,isomer #2 | CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O[Si](C)(C)C(C)(C)C)C=C6)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC43C)C2C1(C)O | 5901.0 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,2TBDMS,isomer #3 | CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O[Si](C)(C)C(C)(C)C)C=C6)C(C)(CO)C5CCC43C)C2C1(C)O[Si](C)(C)C(C)(C)C | 5800.7 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,2TBDMS,isomer #4 | CC1CCC2(C(=O)O[Si](C)(C)C(C)(C)C)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O)C=C6)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC43C)C2C1(C)O | 5679.7 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,2TBDMS,isomer #5 | CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O)C=C6)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC43C)C2C1(C)O[Si](C)(C)C(C)(C)C | 5767.5 | Semi standard non polar | 33892256 | 3-trans-p-Coumaroylrotundic acid,2TBDMS,isomer #6 | CC1CCC2(C(=O)O[Si](C)(C)C(C)(C)C)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/C6=CC=C(O)C=C6)C(C)(CO)C5CCC43C)C2C1(C)O[Si](C)(C)C(C)(C)C | 5616.4 | Semi standard non polar | 33892256 |
|
---|
| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TBDMS_1_3) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TBDMS_1_4) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TBDMS_2_1) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TBDMS_2_2) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TBDMS_2_3) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TBDMS_2_4) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TBDMS_2_5) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS (TBDMS_2_6) - 70eV, Positive | Not Available | 2021-10-17 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-trans-p-Coumaroylrotundic acid GC-MS ("3-trans-p-Coumaroylrotundic acid,1TMS,#1" TMS) - 70eV, Positive | Not Available | 2021-11-02 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-trans-p-Coumaroylrotundic acid 10V, Positive-QTOF | splash10-014j-0400469000-fc7d2087d458a7eddab0 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-trans-p-Coumaroylrotundic acid 20V, Positive-QTOF | splash10-05tb-0800972000-142cd0110004c5d851df | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-trans-p-Coumaroylrotundic acid 40V, Positive-QTOF | splash10-0avi-2500921000-d4fadb53805009e614d2 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-trans-p-Coumaroylrotundic acid 10V, Negative-QTOF | splash10-00m0-0100329000-479b8b7785a17340285a | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-trans-p-Coumaroylrotundic acid 20V, Negative-QTOF | splash10-06dr-0700794000-6109affefe4107e88ab7 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-trans-p-Coumaroylrotundic acid 40V, Negative-QTOF | splash10-0a4m-0300900000-d21f7734434a61936480 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-trans-p-Coumaroylrotundic acid 10V, Positive-QTOF | splash10-000i-0100119000-ef36475b86695d8e5724 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-trans-p-Coumaroylrotundic acid 20V, Positive-QTOF | splash10-014i-0209122000-e3707a73fd11da1a1492 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-trans-p-Coumaroylrotundic acid 40V, Positive-QTOF | splash10-00m0-7917261000-a05fafc04e3821e38f3d | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-trans-p-Coumaroylrotundic acid 10V, Negative-QTOF | splash10-001i-0200009000-0dc5cd3937a51ef5ee4a | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-trans-p-Coumaroylrotundic acid 20V, Negative-QTOF | splash10-0159-0900003000-c7717b493ae05e105a45 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-trans-p-Coumaroylrotundic acid 40V, Negative-QTOF | splash10-014i-0900000000-fefa0055095e282c0791 | 2021-09-25 | Wishart Lab | View Spectrum |
|
---|