Neurolaena lobata
Table of Contents
Details Top
Internal ID | UUID643fcc47f0869751847232 |
Scientific name | Neurolaena lobata |
Authority | R.Br. |
First published in | Dict. Sci. Nat., ed. 2. 34: 502 (1825) |
Description Top
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Neurolaena lobata, also known as jackass bitters, is a perennial flowering plant found in Mexico, Central and South America, and the West Indies. It grows in a variety of habitats and can reach heights of 1-4 meters. This plant is commonly used in traditional medicine, particularly in Maya medicine, for treating wounds, infections, parasitic ailments, and inflammatory conditions. Its leaves contain flavonoids and sesquiterpene lactones.
Synonyms Top
Scientific name | Authority | First published in |
---|---|---|
Neurolaena integrifolia | Klatt | Leopoldina xx. (1884) 94. |
Calea lobata | Sw. | Prodr. [O. P. Swartz] 113. 1788 [20 Jun-29 Jul 1788] |
Calea surianii | Cass. | Dict. Sci. Nat., ed. 2. 6(Suppl.): 32 (1817) |
Critonia chrysocephalum | (Klatt) R.M.King & H.Rob. | |
Neurolaena fulva | B.L.Turner | Phytologia 37: 251 (1977) |
Eupatorium chrysocephalum | Klatt | Compos. Nov. Costaric. 2. 1895 Bot. Beibl. Leopoldina 1895: 2. 1895 |
Neurolaena surianii | Cass. | J. Phys. Chim. Hist. Nat. Arts 87: 29 (1818) |
Neurolaena lobata var. indivisa | Donn.Sm. | Bot. Gaz. 14: 27 (1889) |
Critonia chrysocephala | (Klatt) R.M.King & H.Rob. | Phytologia 22: 48 (1971) |
Conyza symphytifolia | Mill. | Gard. Dict., ed. 8. n. 10. 1768 [16 Apr 1768] |
Eupatorium valverdeanum | Klatt | Bull. Soc. Roy. Bot. Belgique 31(1): 188 (1892) |
Pluchea symphytifolia | (Mill.) Gillis | Taxon 26: 591 (1977) |
Conyza lobata | L. | Sp. Pl. : 862 (1753) |
Common names Top
Add a new one! Suggest a correction!Language | Common/alternative name |
---|---|
English | sepi |
Spanish | gavilana |
Germination/Propagation Top
Suggest a correction or add new data!
No germination or propagation data was added yet.
Distribution (via POWO/KEW) Top
Legend for the distribution data:
- Doubtful data
- Extinct
- Introduced
- Native
-
Northern America click to expand
-
Mexico
- Mexico Central
- Mexico Gulf
- Mexico Northeast
- Mexico Southeast
- Mexico Southwest
-
Mexico
-
Pacific click to expand
-
North-central Pacific
- Hawaii
-
Northwestern Pacific
- Caroline Islands
- Marianas
- Marshall Islands
- Wake Island
-
South-central Pacific
- Society Islands
-
Southwestern Pacific
- Gilbert Islands
- Phoenix Islands
-
North-central Pacific
-
Southern America click to expand
-
Caribbean
- Bahamas
- Cuba
- Dominican Republic
- Haiti
- Jamaica
- Leeward Islands
- Puerto Rico
- Trinidad-Tobago
- Turks-caicos Islands
- Venezuelan Antilles
- Windward Islands
-
Central America
- Belize
- Costa Rica
- El Salvador
- Guatemala
- Honduras
- Nicaragua
- Panamá
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Northern South America
- French Guiana
- Suriname
- Venezuela
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Western South America
- Bolivia
- Colombia
- Ecuador
- Peru
-
Caribbean
Links to other databases Top
Suggest others/fix!Database | ID/link to page |
---|---|
World Flora Online | wfo-0000060874 |
USDA Plants | NELO3 |
Tropicos | 2710787 |
INPN | 630223 |
KEW | urn:lsid:ipni.org:names:234386-1 |
The Plant List | gcc-17908 |
Open Tree Of Life | 250396 |
NCBI Taxonomy | 183056 |
Nature Serve | 2.154412 |
IPNI | 234386-1 |
iNaturalist | 165697 |
GBIF | 3096775 |
EPPO | NEOLO |
EOL | 503028 |
USDA GRIN | 413753 |
Wikipedia | Neurolaena_lobata |
CMAUP | NPO18618 |
Genomes (via NCBI) Top
No reference genome is available on NCBI yet. We are constantly monitoring for new data.
Scientific Literature Top
Below are displayed the latest 15 articles published in PMC (PubMed Central®) and other sources (DOI number only)!
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Phytochemical Profile Top
Add a new one!
Below are displayed the proven (via scientific papers) natural compounds!
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Name | PubChem ID | Canonical SMILES | MW | Found in | Proof |
---|---|---|---|---|---|
> Benzenoids / Phenols / 1-hydroxy-4-unsubstituted benzenoids | |||||
Cylindrocyclophane A | 10348304 | Click to see CCCCC1CCCCC(C(C2=CC(=C(C(CCCCC(C(C3=CC(=C1C(=C3)O)O)O)C)CCCC)C(=C2)O)O)O)C | 584.80 | unknown | via CMAUP database |
Cylindrocyclophane A1 | 46939423 | Click to see CCCCC1CCCCC(C(C2=CC(=C(C(CCCCC(C(C3=CC(=C1C(=C3)O)O)O)C)CCCCCl)C(=C2)O)O)O)C | 619.30 | unknown | via CMAUP database |
Cylindrocyclophane A2 | 46939339 | Click to see CCCCC1CCCCC(C(C2=CC(=C(C(CCCCC(C(C3=CC(=C1C(=C3)O)O)O)C)CCCC(Cl)Cl)C(=C2)O)O)O)C | 653.70 | unknown | via CMAUP database |
Cylindrocyclophane A3 | 46939338 | Click to see CC1CCCCC(C2=C(C=C(C=C2O)C(C(CCCCC(C3=C(C=C(C1O)C=C3O)O)CCCC(Cl)Cl)C)O)O)CCCCCl | 688.20 | unknown | via CMAUP database |
Cylindrocyclophane A4 | 46939337 | Click to see CC1CCCCC(C2=C(C=C(C=C2O)C(C(CCCCC(C3=C(C=C(C1O)C=C3O)O)CCCC(Cl)Cl)C)O)O)CCCC(Cl)Cl | 722.60 | unknown | via CMAUP database |
Cylindrocyclophane B4 | 46939504 | Click to see CC1CCCCC(C2=C(C=C(C=C2O)C(C(CCCCC(C3=C(C=C(C1O)C=C3O)O)CCCC(Br)Br)C)O)O)CCCC(Br)Br | 900.40 | unknown | via CMAUP database |
Cylindrocyclophane C1 | 46939502 | Click to see CCCCC1CCCCC(CC2=CC(=C(C(CCCCC(C(C3=CC(=C1C(=C3)O)O)O)C)CCCCCl)C(=C2)O)O)C | 603.30 | unknown | via CMAUP database |
Cylindrocyclophane C2 | 46939426 | Click to see CCCCC1CCCCC(CC2=CC(=C(C(CCCCC(C(C3=CC(=C1C(=C3)O)O)O)C)CCCC(Cl)Cl)C(=C2)O)O)C | 637.70 | unknown | via CMAUP database |
Cylindrocyclophane C3 | 46939425 | Click to see CC1CCCCC(C2=C(C=C(C=C2O)C(C(CCCCC(C3=C(C=C(C1)C=C3O)O)CCCC(Cl)Cl)C)O)O)CCCCCl | 672.20 | unknown | via CMAUP database |
Cylindrocyclophane C4 | 46939424 | Click to see CC1CCCCC(C2=C(C=C(C=C2O)C(C(CCCCC(C3=C(C=C(C1)C=C3O)O)CCCC(Cl)Cl)C)O)O)CCCC(Cl)Cl | 706.60 | unknown | via CMAUP database |
Cylindrocyclophane F4 | 46939503 | Click to see CC1CCCCC(C2=C(C=C(CC(CCCCC(C3=C(C=C(C1)C=C3O)O)CCCC(Cl)Cl)C)C=C2O)O)CCCC(Cl)Cl | 690.60 | unknown | via CMAUP database |
Merocyclophane A | 62706357 | Click to see CCCCC1CCCCCC(C2=CC(=C(C(CCCCCC(C3=CC(=C1C(=C3)O)O)C)CCCC)C(=C2)O)O)C | 552.80 | unknown | via CMAUP database |
Merocyclophane B | 62706358 | Click to see CCCCC1CCCCCC(C2=CC(=O)C(=C(C2=O)O)C(CCCCCC(C3=CC(=C1C(=C3)O)O)C)CCCC)C | 566.80 | unknown | via CMAUP database |
> Hydrocarbons / Saturated hydrocarbons | |||||
(7r)-7-Methylheptadecane | 10848577 | Click to see CCCCCCCCCCC(C)CCCCCC | 254.50 | unknown | via CMAUP database |
> Lignans, neolignans and related compounds / Cyclobutane lignans | |||||
(1R,4S,5S,6S,7R,10R,11S,12R)-5,6-bis(3,4-dihydroxyphenyl)-11,12-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,8-dioxo-2,9-dioxatricyclo[8.3.1.04,7]tetradecane-1-carboxylic acid | 163190095 | Click to see C1C2C(C(CC1(OC(=O)C3C(C(C3C(=O)O2)C4=CC(=C(C=C4)O)O)C5=CC(=C(C=C5)O)O)C(=O)O)OC(=O)C=CC6=CC(=C(C=C6)O)O)OC(=O)C=CC7=CC(=C(C=C7)O)O | 840.70 | unknown | https://doi.org/10.1055/S-2006-959501 |
5,6-Bis(3,4-dihydroxyphenyl)-11,12-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,8-dioxo-2,9-dioxatricyclo[8.3.1.04,7]tetradecane-1-carboxylic acid | 162890285 | Click to see C1C2C(C(CC1(OC(=O)C3C(C(C3C(=O)O2)C4=CC(=C(C=C4)O)O)C5=CC(=C(C=C5)O)O)C(=O)O)OC(=O)C=CC6=CC(=C(C=C6)O)O)OC(=O)C=CC7=CC(=C(C=C7)O)O | 840.70 | unknown | https://doi.org/10.1055/S-2006-959501 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters | |||||
(10-Hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl) 3-methylbutanoate | 162860621 | Click to see CC1CC2C(C(C(C3(C(=O)C=C1O3)C)O)OC(=O)CC(C)C)C(=C)C(=O)O2 | 378.40 | unknown |
https://doi.org/10.1016/0031-9422(94)00863-O https://doi.org/10.1055/S-2006-957833 |
[(2R,4R,8S,9S,10R,11R)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] 3-methylbutanoate | 71812280 | Click to see CC1CC2C(C(C(C3(C(=O)C=C1O3)C)O)OC(=O)CC(C)C)C(=C)C(=O)O2 | 378.40 | unknown | https://doi.org/10.1016/0031-9422(94)00863-O |
[(2R,4R,8S,9S,10R,11S)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] 3-methylbutanoate | 162860622 | Click to see CC1CC2C(C(C(C3(C(=O)C=C1O3)C)O)OC(=O)CC(C)C)C(=C)C(=O)O2 | 378.40 | unknown | https://doi.org/10.1055/S-2006-957833 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids | |||||
2,5-Dimethoxy-p-cymene | 6427071 | Click to see CC1=CC(=C(C=C1OC)C(C)C)OC | 194.27 | unknown | https://doi.org/10.1016/S0031-9422(00)80635-4 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids | |||||
(1-Acetyloxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl) 2,3-dimethyloxirane-2-carboxylate | 14414237 | Click to see CC1C(O1)(C)C(=O)OC2CCC3(CC(=O)C(=C(C)C)CC3C2(C)OC(=O)C)C | 392.50 | unknown | https://doi.org/10.1016/0031-9422(85)80057-1 |
(1-Hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl) 2,3-dimethyloxirane-2-carboxylate | 14414235 | Click to see CC1C(O1)(C)C(=O)OC2CCC3(CC(=O)C(=C(C)C)CC3C2(C)O)C | 350.40 | unknown | https://doi.org/10.1016/0031-9422(85)80057-1 |
[(1S,2R,4aR,8aR)-1-acetyloxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate | 38358005 | Click to see CC1C(O1)(C)C(=O)OC2CCC3(CC(=O)C(=C(C)C)CC3C2(C)OC(=O)C)C | 392.50 | unknown | https://doi.org/10.1016/0031-9422(85)80057-1 |
[(1S,2R,4aR,8aR)-1-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate | 98642970 | Click to see CC1C(O1)(C)C(=O)OC2CCC3(CC(=O)C(=C(C)C)CC3C2(C)O)C | 350.40 | unknown | https://doi.org/10.1016/0031-9422(85)80057-1 |
[(1S,2S,4aR,8aR)-1-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate | 162911243 | Click to see CC=C(C)C(=O)OC1CCC2(CC(=O)C(=C(C)C)CC2C1(C)O)C | 334.40 | unknown | https://doi.org/10.1016/0031-9422(85)80057-1 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids | |||||
[(1S,2R,4aR,8aR)-1-acetyloxy-7-(2-hydroperoxypropan-2-yl)-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate | 163195416 | Click to see CC1C(O1)(C)C(=O)OC2CCC3(CC(=O)C(=CC3C2(C)OC(=O)C)C(C)(C)OO)C | 424.50 | unknown | https://doi.org/10.1016/0031-9422(85)80057-1 |
[(1S,2R,4aR,8aR)-1-acetyloxy-7-(2-hydroperoxypropan-2-yl)-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate | 162954178 | Click to see CC=C(C)C(=O)OC1CCC2(CC(=O)C(=CC2C1(C)OC(=O)C)C(C)(C)OO)C | 408.50 | unknown | https://doi.org/10.1016/0031-9422(85)80057-1 |
[(1S,2R,4aR,8aR)-1-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate | 9998025 | Click to see CC=C(C)C(=O)OC1CCC2(CC(=O)C(=CC2C1(C)O)C(C)(C)O)C | 350.40 | unknown | https://doi.org/10.1016/0031-9422(85)80057-1 |
[(1S,2S,4aR,8aR)-7-(2-hydroperoxypropan-2-yl)-1-hydroxy-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate | 162893923 | Click to see CC=C(C)C(=O)OC1CCC2(CC(=O)C(=CC2C1(C)O)C(C)(C)OO)C | 366.40 | unknown | https://doi.org/10.1016/0031-9422(85)80057-1 |
[1-acetyloxy-7-(2-hydroperoxypropan-2-yl)-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] 2,3-dimethyloxirane-2-carboxylate | 14164384 | Click to see CC1C(O1)(C)C(=O)OC2CCC3(CC(=O)C(=CC3C2(C)OC(=O)C)C(C)(C)OO)C | 424.50 | unknown | https://doi.org/10.1016/0031-9422(85)80057-1 |
[7-(2-hydroperoxypropan-2-yl)-1-hydroxy-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] 2-methylbut-2-enoate | 162893922 | Click to see CC=C(C)C(=O)OC1CCC2(CC(=O)C(=CC2C1(C)O)C(C)(C)OO)C | 366.40 | unknown | https://doi.org/10.1016/0031-9422(85)80057-1 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones | |||||
(10-Acetyloxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl) 3-methylbutanoate | 162983188 | Click to see CC1=CC2C(C(C(C3(C(=O)C=C1O3)C)OC(=O)C)OC(=O)CC(C)C)C(=C)C(=O)O2 | 418.40 | unknown | https://doi.org/10.1016/0031-9422(94)00863-O |
(10-Hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl) 3-methylbutanoate | 595024 | Click to see CC1=CC2C(C(C(C3(C(=O)C=C1O3)C)O)OC(=O)CC(C)C)C(=C)C(=O)O2 | 376.40 | unknown |
https://doi.org/10.1016/0031-9422(94)00863-O https://doi.org/10.1055/S-2006-957833 |
[(2Z,4R,8S,9S,10R,11R)-10-acetyloxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] 3-methylbutanoate | 162983189 | Click to see CC1=CC2C(C(C(C3(C(=O)C=C1O3)C)OC(=O)C)OC(=O)CC(C)C)C(=C)C(=O)O2 | 418.40 | unknown | https://doi.org/10.1016/0031-9422(94)00863-O |
[(2Z,4R,8S,9S,10R,11S)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] 3-methylbutanoate | 162906857 | Click to see CC1=CC2C(C(C(C3(C(=O)C=C1O3)C)O)OC(=O)CC(C)C)C(=C)C(=O)O2 | 376.40 | unknown | https://doi.org/10.1055/S-2006-957833 |
Lobatin B | 6440752 | Click to see CC1=CC2C(C(C(C3(C(=O)C=C1O3)C)O)OC(=O)CC(C)C)C(=C)C(=O)O2 | 376.40 | unknown |
https://doi.org/10.1016/0031-9422(94)00863-O https://doi.org/10.1021/NP50024A023 https://doi.org/10.1002/(SICI)1099-1565(199803/04)9:2<67::AID-PCA389>3.0.CO;2-V https://doi.org/10.1055/S-2006-957833 https://doi.org/10.1055/S-2006-957474 https://doi.org/10.1016/S0305-1978(96)00113-5 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives | |||||
(4,6-Dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-5-yl) 3-methylbutanoate | 162896571 | Click to see CC1CC2C(C(C(C(C(=O)C=C1)(C)O)OC(=O)CC(C)C)O)C(=C)C(=O)O2 | 380.40 | unknown | https://doi.org/10.1016/0031-9422(94)00863-O |
(5-Acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl) 2-(hydroxymethyl)but-2-enoate | 162844855 | Click to see CC=C(CO)C(=O)OC1C2C(CC(C=CC(=O)C(C1OC(=O)C)(C)O)C)OC(=O)C2=C | 436.50 | unknown | https://doi.org/10.1016/0031-9422(94)00863-O |
(5-Acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl) 3-methylbutanoate | 75297282 | Click to see CC1CC2C(C(C(C(C(=O)C=C1)(C)O)OC(=O)C)OC(=O)CC(C)C)C(=C)C(=O)O2 | 422.50 | unknown |
https://doi.org/10.1002/(SICI)1099-1565(199803/04)9:2<67::AID-PCA389>3.0.CO;2-V https://doi.org/10.1002/PTR.782 https://doi.org/10.1055/S-2006-957474 https://doi.org/10.1016/0031-9422(94)00863-O https://doi.org/10.1021/NP50024A023 https://doi.org/10.1016/S0305-1978(96)00113-5 https://doi.org/10.1055/S-2006-957833 https://doi.org/10.1021/JO00416A020 https://doi.org/10.1021/NP990038T |
(5-Acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-4-yl) 3-methylbutanoate | 163027993 | Click to see CC1=CCC(=O)C(C(C(C2C(C1)OC(=O)C2=C)OC(=O)CC(C)C)OC(=O)C)(C)O | 422.50 | unknown |
https://doi.org/10.1016/0031-9422(94)00863-O https://doi.org/10.1055/S-2006-957833 |
(5,6-Dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl) 3-methylbutanoate | 163063107 | Click to see CC1CC2C(C(C(C(C(=O)C=C1)(C)O)O)OC(=O)CC(C)C)C(=C)C(=O)O2 | 380.40 | unknown | https://doi.org/10.1016/0031-9422(94)00863-O |
(5,6-Dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-4-yl) 3-methylbutanoate | 78178217 | Click to see CC1=CCC(=O)C(C(C(C2C(C1)OC(=O)C2=C)OC(=O)CC(C)C)O)(C)O | 380.40 | unknown |
https://doi.org/10.1016/0031-9422(94)00863-O https://doi.org/10.1021/NP50024A023 https://doi.org/10.1055/S-2006-957833 https://doi.org/10.1016/S0305-1978(96)00113-5 https://doi.org/10.1055/S-2006-957474 |
(6-Hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl) 3-methylbutanoate | 85134290 | Click to see CC1CC2C(C(CC(C(=O)C=C1)(C)O)OC(=O)CC(C)C)C(=C)C(=O)O2 | 364.40 | unknown |
https://doi.org/10.1021/JO00416A020 https://doi.org/10.1021/NP990038T https://doi.org/10.1016/0031-9422(94)00863-O https://doi.org/10.1055/S-2006-957833 |
[(3aR,4S,5R,6R,8Z,10R,11aR)-4,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-5-yl] 3-methylbutanoate | 70697911 | Click to see CC1CC2C(C(C(C(C(=O)C=C1)(C)O)OC(=O)CC(C)C)O)C(=C)C(=O)O2 | 380.40 | unknown | https://doi.org/10.1016/0031-9422(94)00863-O |
[(3aR,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate | 162918016 | Click to see CC1CC2C(C(C(C(C(=O)C=C1)(C)O)OC(=O)C)OC(=O)CC(C)C)C(=C)C(=O)O2 | 422.50 | unknown | https://doi.org/10.1021/NP50024A023 |
[(3aR,4S,5R,6R,9E,11aR)-5,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate | 163106145 | Click to see CC1=CCC(=O)C(C(C(C2C(C1)OC(=O)C2=C)OC(=O)CC(C)C)O)(C)O | 380.40 | unknown | https://doi.org/10.1021/NP50024A023 |
[(3aS,4R,6R,8Z,10R,11aR)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate | 10406463 | Click to see CC1CC2C(C(CC(C(=O)C=C1)(C)O)OC(=O)CC(C)C)C(=C)C(=O)O2 | 364.40 | unknown |
https://doi.org/10.1021/JO00416A020 https://doi.org/10.1016/0031-9422(94)00863-O https://doi.org/10.1055/S-2006-957833 |
[(3aS,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate | 101921668 | Click to see CC(C)CC(=O)OC1C2C(CC(C=CC(=O)C(C1OC(=O)C)(C)O)CO)OC(=O)C2=C | 438.50 | unknown | https://doi.org/10.1016/0031-9422(94)00863-O |
[(3aS,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)but-2-enoate | 162844856 | Click to see CC=C(CO)C(=O)OC1C2C(CC(C=CC(=O)C(C1OC(=O)C)(C)O)C)OC(=O)C2=C | 436.50 | unknown | https://doi.org/10.1016/0031-9422(94)00863-O |
[(3aS,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate | 10454918 | Click to see CC1CC2C(C(C(C(C(=O)C=C1)(C)O)OC(=O)C)OC(=O)CC(C)C)C(=C)C(=O)O2 | 422.50 | unknown |
https://doi.org/10.1016/0031-9422(94)00863-O https://doi.org/10.1055/S-2006-957833 |
[(3aS,4S,5R,6R,8Z,10R,11aR)-5,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate | 70697907 | Click to see CC1CC2C(C(C(C(C(=O)C=C1)(C)O)O)OC(=O)CC(C)C)C(=C)C(=O)O2 | 380.40 | unknown | https://doi.org/10.1016/0031-9422(94)00863-O |
[(3aS,4S,5R,6R,9Z,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate | 101921669 | Click to see CC1=CCC(=O)C(C(C(C2C(C1)OC(=O)C2=C)OC(=O)CC(C)C)OC(=O)C)(C)O | 422.50 | unknown |
https://doi.org/10.1016/0031-9422(94)00863-O https://doi.org/10.1055/S-2006-957833 |
[(3aS,4S,5R,6S,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate | 162918015 | Click to see CC1CC2C(C(C(C(C(=O)C=C1)(C)O)OC(=O)C)OC(=O)CC(C)C)C(=C)C(=O)O2 | 422.50 | unknown | https://doi.org/10.1021/JO00416A020 |
[5-Acetyloxy-6-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate | 163002993 | Click to see CC(C)CC(=O)OC1C2C(CC(C=CC(=O)C(C1OC(=O)C)(C)O)CO)OC(=O)C2=C | 438.50 | unknown | https://doi.org/10.1016/0031-9422(94)00863-O |
Neurolenin A | 71306326 | Click to see CC1CC2C(C(CC(C(=O)C=C1)(C)O)OC(=O)CC(C)C)C(=C)C(=O)O2 | 364.40 | unknown |
https://doi.org/10.1016/0031-9422(94)00863-O https://doi.org/10.1055/S-2006-957833 https://doi.org/10.1055/S-2006-957474 |
Neurolenin B | 49799795 | Click to see CC1CC2C(C(C(C(C(=O)C=C1)(C)O)OC(=O)C)OC(=O)CC(C)C)C(=C)C(=O)O2 | 422.50 | unknown | https://doi.org/10.1021/JO00416A020 |
Neurolenin C | 71306329 | Click to see CC1CC2C(C(C(C(C(=O)C=C1)(C)O)OC(=O)CC(C)C)O)C(=C)C(=O)O2 | 380.40 | unknown |
https://doi.org/10.1002/PTR.782 https://doi.org/10.1016/0031-9422(94)00863-O https://doi.org/10.1002/(SICI)1099-1565(199803/04)9:2<67::AID-PCA389>3.0.CO;2-V https://doi.org/10.1055/S-2006-957833 https://doi.org/10.1055/S-2006-957474 https://doi.org/10.1016/S0305-1978(96)00113-5 |
Neurolenin D | 71306328 | Click to see CC1CC2C(C(C(C(C(=O)C=C1)(C)O)O)OC(=O)CC(C)C)C(=C)C(=O)O2 | 380.40 | unknown |
https://doi.org/10.1002/PTR.782 https://doi.org/10.1016/0031-9422(94)00863-O https://doi.org/10.1002/(SICI)1099-1565(199803/04)9:2<67::AID-PCA389>3.0.CO;2-V https://doi.org/10.1055/S-2006-957833 https://doi.org/10.1055/S-2006-957474 https://doi.org/10.1016/S0305-1978(96)00113-5 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids | |||||
[(4aR,6aS,6aR,6bR,8aR,12aS,14aS,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] acetate | 137704689 | Click to see CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)OC(=O)C)C | 468.80 | unknown | https://doi.org/10.1016/S0031-9422(00)80635-4 |
Taraxasterol, acetate | 344468 | Click to see CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)OC(=O)C)C | 468.80 | unknown | https://doi.org/10.1016/S0031-9422(00)80635-4 |
> Lipids and lipid-like molecules / Saccharolipids | |||||
[(2R,3S,4S,5R,6S)-6-[[(1S,5S,6R,8R,10R,12S)-6-[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethylcarbamoyl]-12-hydroxy-7-[(2R)-2-[[(2S)-2-methoxy-3-sulfooxypropanoyl]amino]-4-methylpentanoyl]-3-oxo-2-oxa-4,7-diazatricyclo[6.3.1.01,5]dodecan-10-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexanoate | 102411752 | Click to see CCCCCC(=O)OCC1C(C(C(C(O1)OC2CC3C(C4(C2)C(C(N3C(=O)C(CC(C)C)NC(=O)C(COS(=O)(=O)O)OC)C(=O)NCCC5=CCN(C5)C(=N)N)NC(=O)O4)O)O)O)O | 950.00 | unknown | via CMAUP database |
[(2S,3R,4S,5R,6R)-2-[[(1S,5S,6R,8R,10R,12S)-6-[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethylcarbamoyl]-12-hydroxy-7-[(2R)-2-[[(2S)-2-methoxy-3-sulfooxypropanoyl]amino]-4-methylpentanoyl]-3-oxo-2-oxa-4,7-diazatricyclo[6.3.1.01,5]dodecan-10-yl]oxy]-4-carbamoyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] hexanoate | 102411750 | Click to see CCCCCC(=O)OC1C(C(C(OC1OC2CC3C(C4(C2)C(C(N3C(=O)C(CC(C)C)NC(=O)C(COS(=O)(=O)O)OC)C(=O)NCCC5=CCN(C5)C(=N)N)NC(=O)O4)O)CO)O)OC(=O)N | 993.00 | unknown | via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Phenylalanine and derivatives | |||||
Cryptophycin G | 9983101 | Click to see CC(C(CC=CC(=O)NC(CC1=CC(=C(C=C1)OC)Cl)C(=O)O)O)C(C(C2=CC=CC=C2)O)O | 492.00 | unknown | via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Pentacarboxylic acids and derivatives | |||||
1,3,4,5-Tetrakis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid | 4484947 | Click to see C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O | 840.70 | unknown | https://doi.org/10.1055/S-2006-959501 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives | |||||
(10-Acetyloxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl) 3-methylbutanoate | 162965914 | Click to see CC1CC2C(C(C(C3(C(=O)C=C1O3)C)OC(=O)C)OC(=O)CC(C)C)C(=C)C(=O)O2 | 420.50 | unknown | https://doi.org/10.1016/0031-9422(94)00863-O |
[(2R,4R,8S,9S,10R,11R)-10-acetyloxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] 3-methylbutanoate | 101035409 | Click to see CC1CC2C(C(C(C3(C(=O)C=C1O3)C)OC(=O)C)OC(=O)CC(C)C)C(=C)C(=O)O2 | 420.50 | unknown | https://doi.org/10.1016/0031-9422(94)00863-O |
> Organic acids and derivatives / Peptidomimetics / Depsipeptides / Cyclic depsipeptides | |||||
Nostopeptin Bn920 | 10328447 | Click to see CC1C(C(=O)NC(C(=O)NC2CCC(N(C2=O)C(C(=O)N(C(C(=O)NC(C(=O)O1)C(C)C)CC3=CC=C(C=C3)O)C)CC4=CC=CC=C4)O)CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C | 921.00 | unknown | via CMAUP database |
> Organic acids and derivatives / Peptidomimetics / Hybrid peptides | |||||
(2R)-3-[[(2S)-3-(3-chloro-4-methoxyphenyl)-2-[[(E,5S,6S,7R,8S)-5,7,8-trihydroxy-6-methyl-8-phenyloct-2-enoyl]amino]propanoyl]amino]-2-methylpropanoic acid | 10348169 | Click to see CC(CNC(=O)C(CC1=CC(=C(C=C1)OC)Cl)NC(=O)C=CCC(C(C)C(C(C2=CC=CC=C2)O)O)O)C(=O)O | 577.10 | unknown | via CMAUP database |
Arenastatin A | 9938734 | Click to see CC(C)CC1C(=O)OC(CC=CC(=O)NC(C(=O)NCCC(=O)O1)CC2=CC=C(C=C2)OC)C(C)C3C(O3)C4=CC=CC=C4 | 606.70 | unknown | via CMAUP database |
Cryptophycin | 6438401 | Click to see CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)C(C)C2C(O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl | 655.20 | unknown | via CMAUP database |
Cryptophycin 16 | 10604177 | Click to see CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)C(C)C2C(O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)O)Cl | 641.10 | unknown | via CMAUP database |
Cryptophycin 17 | 10699160 | Click to see CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)C(C)C=CC2=CC=CC=C2)CC3=CC(=C(C=C3)O)Cl | 625.10 | unknown | via CMAUP database |
Cryptophycin 175 | 10604522 | Click to see CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)C(C)C=CC2=CC=CC=C2)CC3=CC(=C(C(=C3)Cl)OC)Cl | 673.60 | unknown | via CMAUP database |
Cryptophycin 176 | 21591965 | Click to see CC(C)CC1C(=O)OC(CC=CC(=O)NC(C(=O)NCCC(=O)O1)CC2=CC(=C(C=C2)O)Cl)C(C)C3C(O3)C4=CC=CC=C4 | 627.10 | unknown | via CMAUP database |
Cryptophycin 19 | 10555920 | Click to see CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)C(C)C)C(C)C=CC2=CC=CC=C2)CC3=CC(=C(C=C3)OC)Cl | 625.10 | unknown | via CMAUP database |
Cryptophycin 21 | 10508360 | Click to see CC(C)CC1C(=O)OC(CC=CC(=O)NC(C(=O)NCCC(=O)O1)CC2=CC(=C(C=C2)OC)Cl)C(C)C3C(O3)C4=CC=CC=C4 | 641.10 | unknown | via CMAUP database |
Cryptophycin 23 | 10699692 | Click to see CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)C(C)C2C(O2)C3=CC=CC=C3)CC4=CC(=C(C(=C4)Cl)O)Cl | 675.60 | unknown | via CMAUP database |
Cryptophycin 26 | 10794404 | Click to see CC1CNC(=O)C(NC(=O)CC(OC(=O)C(OC1=O)CC(C)C)CC(C(C)C=CC2=CC=CC=C2)O)CC3=CC(=C(C=C3)OC)Cl | 657.20 | unknown | via CMAUP database |
Cryptophycin 29 | 10371754 | Click to see CC(C)CC1C(=O)OC(CC=CC(=O)NC(C(=O)NCCC(=O)O1)CC2=CC(=C(C=C2)OC)Cl)C(C)C=CC3=CC=CC=C3 | 625.10 | unknown | via CMAUP database |
Cryptophycin 30 | 10651921 | Click to see CC1CNC(=O)C(NC(=O)CC(CC(OC(=O)C(OC1=O)CC(C)C)C(C)C=CC2=CC=CC=C2)O)CC3=CC(=C(C=C3)OC)Cl | 657.20 | unknown | via CMAUP database |
Cryptophycin 31 | 10556556 | Click to see CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)C(C)C2C(O2)C3=CC=CC=C3)CC4=CC(=C(C(=C4)Cl)OC)Cl | 689.60 | unknown | via CMAUP database |
Cryptophycin 326 | 11169871 | Click to see CC(C)CC1C(=O)OC(CC=CC(=O)NC(C(=O)NCCC(=O)O1)CC2=CC(=C(C(=C2)Cl)OC)Cl)C(C)C3C(O3)C4=CC=CC=C4 | 675.60 | unknown | via CMAUP database |
Cryptophycin 327 | 11422411 | Click to see CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)C(C)C2C(O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl | 655.20 | unknown | via CMAUP database |
Cryptophycin 38 | 10699481 | Click to see CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)C(C)C2C(O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl | 655.20 | unknown | via CMAUP database |
Cryptophycin 40 | 10699331 | Click to see CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)CC2C(O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl | 641.10 | unknown | via CMAUP database |
Cryptophycin 43 | 10769731 | Click to see CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)C(C)C=CC2=CC=CC=C2)CC3=CC=C(C=C3)O | 590.70 | unknown | via CMAUP database |
Cryptophycin 45 | 10746911 | Click to see CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)C(C)C=CC2=CC=CC=C2)CC3=CC(=C(C(=C3)Cl)O)Cl | 659.60 | unknown | via CMAUP database |
Cryptophycin 49 | 10722801 | Click to see CCCC1C(=O)OC(CC=CC(=O)NC(C(=O)NCC(C(=O)O1)C)CC2=CC(=C(C=C2)OC)Cl)C(C)C3C(O3)C4=CC=CC=C4 | 641.10 | unknown | via CMAUP database |
Cryptophycin 54 | 10794382 | Click to see CCC(C)C1C(=O)OC(CC=CC(=O)NC(C(=O)NCC(C(=O)O1)C)CC2=CC(=C(C=C2)OC)Cl)C(C)C3C(O3)C4=CC=CC=C4 | 655.20 | unknown | via CMAUP database |
Cryptophycin A | 6504906 | Click to see CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)C(C)C2C(O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl | 655.20 | unknown | via CMAUP database |
Cryptophycin B | 5468424 | Click to see CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)C(C)C2C(O2)C3=CC=CC=C3)CC4=CC=C(C=C4)OC | 620.70 | unknown | via CMAUP database |
Cryptophycin C | 10258579 | Click to see CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)C(C)C=CC2=CC=CC=C2)CC3=CC(=C(C=C3)OC)Cl | 639.20 | unknown | via CMAUP database |
Cryptophycin E | 11765188 | Click to see CC(C)CC(C(=O)OC(CC=CC(=O)NC(CC1=CC(=C(C=C1)OC)Cl)C(=O)NCC(C)C(=O)OC)C(C)C2C(O2)C3=CC=CC=C3)O | 687.20 | unknown | via CMAUP database |
Cryptophycin F | 9985876 | Click to see CC(CNC(=O)C(CC1=CC(=C(C=C1)OC)Cl)NC(=O)C=CCC(C(C)C(C(C2=CC=CC=C2)O)O)O)C(=O)OC | 591.10 | unknown | via CMAUP database |
Cryptophycin-18 | 10722782 | Click to see CCC(C)C1C(=O)OC(CC=CC(=O)NC(C(=O)NCC(C(=O)O1)C)CC2=CC(=C(C=C2)OC)Cl)C(C)C=CC3=CC=CC=C3 | 639.20 | unknown | via CMAUP database |
Cryptophycin-49 | 11802061 | Click to see CCCC1C(=O)OC(CC=CC(=O)NC(C(=O)NCC(C(=O)O1)C)CC2=CC(=C(C=C2)OC)Cl)C(C)C=CC3=CC=CC=C3 | 625.10 | unknown | via CMAUP database |
H-bAla(2S-OH,3S-pentyl)-Val-N(Me)Ile-N(Me)Tyr-OH | 101220584 | Click to see CCCCCC(C(C(=O)NC(C(C)C)C(=O)N(C)C(C(C)CC)C(=O)N(C)C(CC1=CC=C(C=C1)O)C(=O)O)O)N | 578.70 | unknown | via CMAUP database |
Nostoginin BN741 | 10462730 | Click to see CCCCCC(C(C(=O)NC(C(C)C)C(=O)N(C)C(C(C)CC)C(=O)N(C)C(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)O)N | 741.90 | unknown | via CMAUP database |
Nostophycin | 10724374 | Click to see CCC(C)C1C(=O)N2CCCC2C(=O)NC(C(C(=O)NC(C(=O)NCC(=O)N3CCCC3C(=O)NC(C(=O)N1)CC4=CC=CC=C4)CCC(=O)N)O)CC(CCCC5=CC=CC=C5)O | 889.00 | unknown | via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives | |||||
(1S)-3,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylic acid | 129316855 | Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O | 516.40 | unknown | https://doi.org/10.1055/S-2006-959501 |
3-p-Coumaroylquinic acid | 9945785 | Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O | 338.31 | unknown | https://doi.org/10.1016/0031-9422(85)80057-1 |
3,4-Di-O-Caffeoylquinic acid | 3802778 | Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O | 516.40 | unknown | https://doi.org/10.1055/S-2006-959501 |
3,4-Dicaffeoylquinic acid | 6474309 | Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O | 516.40 | unknown | https://doi.org/10.1055/S-2006-959501 |
3,4,5-Tris[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1-hydroxycyclohexane-1-carboxylic acid | 73606072 | Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O | 678.60 | unknown | https://doi.org/10.1055/S-2006-959501 |
3,5-Dicaffeoyl-epi-quinic acid | 60150332 | Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O | 516.40 | unknown | https://doi.org/10.1055/S-2006-959501 |
4,5-Dicaffeoylquinic acid | 5281780 | Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O | 516.40 | unknown | https://doi.org/10.1055/S-2006-959501 |
Isochlorogenic acid A | 6474310 | Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O | 516.40 | unknown | https://doi.org/10.1055/S-2006-959501 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides | |||||
Glc(b1-3)[Fru(b2-6)]a-Glc | 16035193 | Click to see C1C(C(C(C(O1)(CO)OCC2C(C(C(C(O2)O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O | 504.40 | unknown | via CMAUP database |
> Organoheterocyclic compounds / Azoles / Imidazoles / Substituted imidazoles / Nitroimidazoles | |||||
Metronidazole | 4173 | Click to see CC1=NC=C(N1CCO)[N+](=O)[O-] | 171.15 | unknown | https://doi.org/10.1055/S-2006-959501 |
> Organoheterocyclic compounds / Indoles and derivatives / Indoles | |||||
(3Z)-3-[(4-hydroxyphenyl)methylidene]-4H-cyclopenta[b]indole-1,2-dione | 21592416 | Click to see C1=CC=C2C(=C1)C3=C(N2)C(=CC4=CC=C(C=C4)O)C(=O)C3=O | 289.30 | unknown | via CMAUP database |
Nostodione A | 21592415 | Click to see C1=CC=C2C(=C1)C3=C(N2)C(=CC4=CC=C(C=C4)O)C(=O)C3=O | 289.30 | unknown | via CMAUP database |
> Organoheterocyclic compounds / Isoquinolines and derivatives / Isoquinolones and derivatives | |||||
5-Chloro-7-hydroxy-2-(2-hydroxyethyl)-7-methyl-3-(3-methylpent-1-enyl)isoquinoline-6,8-dione | 78108622 | Click to see CCC(C)C=CC1=CC2=C(C(=O)C(C(=O)C2=CN1CCO)(C)O)Cl | 351.80 | unknown | https://doi.org/10.1055/S-2006-959501 |
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones | |||||
(1R,4S,5'S,6S,9R,10R)-5'-(furan-3-yl)-6-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-8(12)-ene-9,3'-oxolane]-2',3-dione | 21585546 | Click to see CC1CC2C3=C(C14CC(OC4=O)C5=COC=C5)CC(CC3C(=O)O2)O | 344.40 | unknown | https://doi.org/10.1016/0031-9422(85)80057-1 |
> Organoheterocyclic compounds / Pyrazolotriazines | |||||
Nostocine A | 10749358 | Click to see CN1C2=NNC(=O)C2=NC=N1 | 151.13 | unknown | via CMAUP database |
> Organoheterocyclic compounds / Pyrrolizidines | |||||
Isotussilagine | 149801 | Click to see CC1(CN2CCCC2C1C(=O)OC)O | 199.25 | unknown | https://doi.org/10.1016/S0305-1978(98)00056-8 |
Tussilagine | 185071 | Click to see CC1(CN2CCCC2C1C(=O)OC)O | 199.25 | unknown | https://doi.org/10.1016/S0305-1978(98)00056-8 |
> Organoheterocyclic compounds / Thiophenes / 2,5-disubstituted thiophenes | |||||
Thiophene A | 100448 | Click to see CC#CC1=CC=C(S1)C#CC#CC=C | 196.27 | unknown | https://doi.org/10.1016/0031-9422(85)80057-1 |
Thiophene B | 14262770 | Click to see CC#CC#CC1=CC=C(S1)C#CC=C | 196.27 | unknown | https://doi.org/10.1016/0031-9422(85)80057-1 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Coumaric acid esters | |||||
Prenostodione | 10735662 | Click to see COC(=O)C(=CC1=CC=C(C=C1)O)C2=C(C3=CC=CC=C3N2)C(=O)O | 337.30 | unknown | via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / 8-prenylated flavans / 8-prenylated flavanones | |||||
8-Prenylnaringenin | 480764 | Click to see CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=C(C=C3)O)C | 340.40 | unknown | via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols | |||||
Isorhamnetin | 5281654 | Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O | 316.26 | unknown | https://doi.org/10.1055/S-2006-959501 |
Quercetagetin | 5281680 | Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O)O)O | 318.23 | unknown | https://doi.org/10.1016/0031-9422(81)85176-X |
Quercetin | 5280343 | Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O | 302.23 | unknown | https://doi.org/10.1055/S-2006-959501 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides | |||||
2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3-methoxy-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | 163185218 | Click to see COC1=C(OC2=CC(=C(C(=C2C1=O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O | 494.40 | unknown | https://doi.org/10.1016/0031-9422(81)85176-X |
2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-3-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | 73812467 | Click to see COC1=C(OC2=CC(=C(C(=C2C1=O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O | 494.40 | unknown | https://doi.org/10.1016/0031-9422(81)85176-X |
5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | 163070635 | Click to see COC1=C(OC2=CC(=C(C(=C2C1=O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O | 478.40 | unknown | https://doi.org/10.1016/0031-9422(81)85176-X |
5,6-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | 74978450 | Click to see COC1=C(OC2=CC(=C(C(=C2C1=O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O | 478.40 | unknown | https://doi.org/10.1016/0031-9422(81)85176-X |
6-Hydroxykaempferol 7-alloside | 14825511 | Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O | 464.40 | unknown | https://doi.org/10.1016/0031-9422(81)85176-X |
6-Hydroxykaempferol 7-O-|A-glucopyranoside | 5318240 | Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O | 464.40 | unknown | https://doi.org/10.1016/0031-9422(81)85176-X |
Quercetagetin 7-glucoside | 12314844 | Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O | 480.40 | unknown | https://doi.org/10.1016/0031-9422(81)85176-X |
Quercetagitrin | 5320826 | Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O | 480.40 | unknown | https://doi.org/10.1016/0031-9422(81)85176-X |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids | |||||
Batatifolin | 5320181 | Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O)O | 316.26 | unknown | https://doi.org/10.1016/0031-9422(81)85176-X |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids | |||||
5,6,4'-Trihydroxy-3,7-dimethoxyflavone | 13983730 | Click to see COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)O | 330.29 | unknown | https://doi.org/10.1016/0031-9422(81)85176-X |
Tomentin | 148856 | Click to see COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O)O | 346.30 | unknown | https://doi.org/10.1016/0031-9422(81)85176-X |
> Phenylpropanoids and polyketides / Isoflavonoids / Coumaronochromones | |||||
(3R,11S,17S)-7,20-dihydroxy-17-prop-1-en-2-yl-10,12,16-trioxapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(13),4(9),5,7,14,19-hexaen-2-one | 162999941 | Click to see CC(=C)C1CC2=C(C3=C(C=C2O1)OC4C(C3=O)C5=C(O4)C=C(C=C5)O)O | 352.30 | unknown | https://doi.org/10.1055/S-2006-959501 |
> Phenylpropanoids and polyketides / Macrolactams | |||||
CID 10837661 | 10837661 | Click to see CC1C2=NC(=C(O2)C)C(=O)NC(C3=NC(=CS3)C(=O)NC(C4=NC(=CS4)C(=O)N1)C)C | 460.50 | unknown | via CMAUP database |
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