Structure Database (LMSD)
LMSD: Lipid classification search results
Sterol Lipids [ST] (W) --> Sterols [ST01]--> Withanolides and derivatives [ST0116]| LM_ID | Common Name | Systematic Name | Species Shorthand | Formula | Mass |
|---|---|---|---|---|---|
| LMST01160000 | Withanolide skeleton | - | - | - | - |
| LMST01160001 | 15β-Hydroxynicandrin B | 1-oxo-5α,12α,15β-trihydroxy-6α,7α- epoxy-witha-2,24-dienolide | ST 28:6;O7 | C28H38O7 | 486.2618 |
| LMST01160002 | Minabeolide-1 | 3-oxo-witha-1,4,24-trienolide | ST 28:6;O3 | C28H38O3 | 422.2821 |
| LMST01160003 | Minabeolide-2 | 3-oxo-18-acetoxywitha-1,4,24-trienolide | ST 29:7;O5 | C29H38O5 | 466.2719 |
| LMST01160004 | Minabeolide-3 | 3-oxo-witha-4,24-dienolide | ST 28:5;O3 | C28H40O3 | 424.2977 |
| LMST01160005 | Minabeolide-4 | 28-nor-3-oxo-witha-1,4-dienolide | ST 27:5;O3 | C27H38O3 | 410.2821 |
| LMST01160006 | Minabeolide-5 | 28-nor-3-oxo-18-acetoxy-witha-1,4- dienolide | ST 28:6;O5 | C28H38O5 | 454.2719 |
| LMST01160007 | Minabeolide-6 | 28-nor-3-oxo-with-4-enolide | ST 27:4;O3 | C27H40O3 | 412.2977 |
| LMST01160008 | Minabeolide-7 | 28-nor-3-oxo-18-acetoxy-with-4-enolide | ST 28:5;O5 | C28H40O5 | 456.2876 |
| LMST01160009 | Minabeolide-8 | 28-nor-3-oxo-11α-acetoxy-with-4-enolide | ST 29:5;O5 | C29H42O5 | 470.3032 |
| LMST01160010 | 4β-Hydroxywithanolide E | 15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro- 2H-pyran-2-yl)-1-hydroxyethyl]-6,12,15- trihydroxy-2,16-dimethyl-8- oxapentacyclo[9.7.0.0ω{2,7}.0ω{7, 9}.0ω{12,16}]octadec-4-en-3-one | ST 28:6;O8 | C28H38O8 | 502.2567 |
| LMST01160011 | Ixocarpalactone A | 15-[1-(3,4-dimethyl-5-oxooxolan-2-yl)- 1,2-dihydroxypropan-2-yl]-6,14- dihydroxy-2,16-dimethyl-8- oxapentacyclo[9.7.0.0ω{2,7}.0ω{7, 9}.0ω{12,16}]octadec-4-en-3-one | ST 28:5;O8 | C28H40O8 | 504.2723 |
| LMST01160012 | Physalolactone | 6-(1-{8-chloro-6,7,11,14-tetrahydroxy- 2,15-dimethyl-3- oxotetracyclo[8.7.0.0ω{2,7}.0ω{11, 15}]heptadec-4-en-14-yl}-1- hydroxyethyl)-3,4-dimethyl-5,6-dihydro- 2H-pyran-2-one | - | C28H39ClO8 | 538.2333 |
| LMST01160013 | Physalolactone B | 14-[1-(4,5-dimethyl-6-oxo-3,6-dihydro- 2H-pyran-2-yl)-1-hydroxyethyl]-5- hydroxy-2,15- dimethyltetracyclo[8.7.0.0ω{2,7}.0ω{11, 15}]heptadec-7-en-3-yl acetate | ST 30:5;O6 | C30H44O6 | 500.3138 |
| LMST01160014 | Physalolactone C | 6-(1-{8-chloro-6,7,14-trihydroxy-2,15- dimethyl-3-oxotetracyclo[8.7.0.0ω{2, 7}.0ω{11,15}]heptadeca-4,11-dien-14- yl}-1-hydroxyethyl)-3,4-dimethyl-5,6- dihydro-2H-pyran-2-one | - | C28H37O7Cl | 520.2228 |
| LMST01160015 | Physapubenolide | (20S,22R)-15α-acetoxy-5β,6β-epoxy- 4β,14β-dihydroxy-1-oxo-witha- 2,24- dienolide | ST 30:7;O8 | C30H40O8 | 528.2723 |
| LMST01160016 | Taccalonolide A | (2R,3R,5S)-2-(1-hydroxy-1-methyl-ethyl) -5-[(3R,5R,9R,10R,13S,14S,17S)-3- hydroxy-4,4,10,13,14-pentamethyl-2,3,5, 6,9,11,12,15,16,17-decahydro-1H- cyclopenta[a]phenanthren-17- yl]tetrahydropyran-3-ol | - | C36H46O14 | 702.2888 |
| LMST01160017 | Withaferin A | 2,3,3-trimethyl-2H-benzo[g]benzofuran- 4,5-dione | ST 28:6;O6 | C28H38O6 | 470.2668 |
| LMST01160018 | Withanolide | (1S,2R,6S,9R,11S,12S,15S,16S)-15-[(1R)- 1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro- 2H-pyran-2-yl]-1-hydroxyethyl]-6- hydroxy-2,16-dimethyl-8- oxapentacyclo[9.7.0.0ω{2,7}.0ω{7, 9}.0ω{12,16}]octadec-4-en-3-one | ST 28:6;O6 | C28H38O6 | 470.2668 |
| LMST01160019 | Withanolide A | 15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro- 2H-pyran-2-yl)-1-hydroxyethyl]-5- hydroxy-10,14-dimethyl-3- oxapentacyclo[9.7.0.0ω{2,4}.0ω{5, 10}.0ω{14,18}]octadec-7-en-9-one | ST 28:6;O6 | C28H38O6 | 470.2668 |
| LMST01160020 | Withanolide D | (3aS,5aR,9bR)-5a,9-dimethyl-3- methylene-4,5,6,7,8,9b-hexahydro-3aH- benzo[g]benzofuran-2-one | ST 28:6;O6 | C28H38O6 | 470.2668 |
| LMST01160021 | Withaperuvin B | 6-(1-hydroxy-1-{6,7,8,11,14- pentahydroxy-2,15-dimethyl-3- oxotetracyclo[8.7.0.0ω{2,7}.0ω{11, 15}]heptadec-4-en-14-yl}ethyl)-3,4- dimethyl-5,6-dihydro-2H-pyran-2-one | ST 28:5;O9 | C28H40O9 | 520.2672 |
| LMST01160022 | Exodeconolide E | 16α-acetoxy-7α-hydroxy-24,25-epoxy-1- oxowitha-2,5-dien-26,22-olide | ST 30:7;O7 | C30H40O7 | 512.2774 |
| LMST01160023 | Exodeconolide F | 14,15-dihydroxy-1-oxowitha-2,5,24- trien-26,22-olide | ST 28:6;O5 | C28H38O5 | 454.2719 |
| LMST01160024 | Exodeconolide D | 16α-acetoxy-7α-hydroxy-22,26:24,25- diepoxy-26-hydroxyergost-2,5-dien-1-one | ST 30:6;O7 | C30H42O7 | 514.2931 |
| LMST01160025 | - | (20S,22R)-3a,6a-epoxy-4β,5β,27- trihydroxy-1-oxowitha-24-enolide | FA 28:8;O5 | C28H40O7 | 488.2774 |
| LMST01160026 | Withanoside VIII | 27-O-β-D-glucopyranosylpubesenolide 3- O-β-D-glucopyranosyl (1-6)-β-D- glucopyranoside | - | C46H72O20 | 944.4617 |
| LMST01160027 | Withanoside IX | 27-O-β-D-glucopyranosyl (1-6)-β-D- glucopyranosylpubesenolide 3-O-β-D- glucopyranosyl (1-6)-β-D- glucopyranoside | - | C52H82O25 | 1106.5145 |
| LMST01160028 | Withanoside X | 27-O-β-D-glucopyranosylpubesenolide 3- O-β-D-glucopyranoside | - | C40H62O15 | 782.4089 |
| LMST01160029 | Withanoside XI | (20R,22R)-1α,3β,20,27- tetrahydroxywitha-5,24-dienolide 3-O- β-D-glucopyranoside | - | C34H52O11 | 636.3510 |