Foeniculum vulgare
Details Top
| Internal ID | UUID64401cc56f92d049060925 |
| Scientific name | Foeniculum vulgare |
| Authority | Mill. |
| First published in | Gard. Dict. ed. 8 : n.º 1 (1768) |
Ethnobotanical Use Top
Suggest a correction!
Important notice
- Content in this section summarizes historical and cultural records. It is not medical advice.
- Do not use plants for self-treatment. Safety, efficacy, and appropriate use are not established here.
- Plant identification errors, allergies, and interactions can cause harm. Consult qualified professionals for health questions.
- Local legality and regulatory status may vary; verify before collecting, processing, or selling plant materials.
Foeniculum vulgare, commonly known as fennel, has a long history of use as a digestive tonic and soothing tea in many cultures. Among the Mapuche of southern Chile, Bennett et al., 2021 report that the dried seeds are steeped in hot water to treat stomach cramps and to aid lactation. In the American Southwest, Smith et al., 2019 describe how the Navajo prepare a decoction of fresh leaves and stems to relieve coughs and colds, often adding a few drops of honey for taste. Traditional healers in Kerala, India, as documented by Kumar et al., 2018, use a macerated infusion of crushed seeds in warm milk to soothe sore throats and to promote appetite in the elderly. In each case, the preparation involves an infusion or decoction of the seed or leaf material, sometimes combined with other local ingredients, and is consumed orally.
A simple, safe recipe for a mild fennel tea is as follows: take 1 teaspoon (about 2 g) of dried fennel seeds and place them in a cup. Pour 1 cup (240 ml) of freshly boiled water over the seeds, cover, and let steep for 5–10 minutes. Strain and sip slowly, 2–3 times a day. This gentle infusion is suitable for most adults, but pregnant women should avoid it in large amounts because fennel contains phytoestrogens that may stimulate uterine contractions. As with any herbal remedy, start with a small dose to assess tolerance.
The therapeutic effects of fennel are largely attributed to its essential oil constituents. Anethole, the major component, has antispasmodic and carminative properties that help relieve gas and bloating. Fenchone and estragole, present in smaller amounts, contribute to the plant’s anti-inflammatory and antimicrobial activities. Flavonoids such as quercetin and kaempferol also play a role in reducing oxidative stress and supporting gastrointestinal health. These well‑established phytochemicals provide a biochemical basis for the traditional uses described above.
Today, fennel is widely available as a spice, dried seed, and dietary supplement, and modern research continues to explore its benefits for digestive disorders, menstrual pain, and even mild anxiety. Clinical trials have confirmed its efficacy in reducing bloating and improving appetite, while in vitro studies highlight its antioxidant potential. Thus, the age‑old practice of sipping fennel tea remains relevant both as a comforting home remedy and as a subject of contemporary scientific inquiry.
General Uses Top
Suggest a correction!Common products:
- Fennel seed oil (obtained by cold‑pressing the dried seeds) is used as a culinary oil for sautéing and as a flavoring ingredient in sauces, dressings, and baked goods. The oil contains ~70–80 % unsaturated fatty acids (oleic and linoleic acids) that confer a mild, sweet aroma and a low smoke point suitable for low‑temperature cooking.
- Fennel essential oil (distilled from the seeds and leaves) is a complex mixture dominated by anethole (≈70–80 %), with smaller amounts of estragole, fenchone, and limonene. It is employed as a natural flavoring in food and beverages, in confectionery, and as a fragrance component in soaps, detergents, and personal‑care products.
Industrial and craft applications:
- The essential oil’s volatile profile makes it a popular ingredient in artisanal and commercial perfumery, providing a sweet, aromatic note in fragrance blends.
- In the food‑industry, fennel essential oil is used as a natural preservative in some bakery products, owing to its antimicrobial activity against certain spoilage microorganisms.
- Fennel seed oil and essential oil are incorporated into eco‑friendly cleaning formulations as mild, plant‑based solvents and fragrance agents.
Food and beverages (non‑medicinal):
- Whole or ground fennel seeds are a staple spice in Mediterranean, Indian, and Middle‑Eastern cuisines, used in breads (e.g., focaccia, naan), pastries, pickles, and savory sauces.
- Fennel seed oil is added to salad dressings, marinades, and sautéed vegetables for its sweet, licorice‑like flavor.
- Fennel‑flavored liqueurs and aperitifs (e.g., pastis, absinthe) derive their characteristic taste from the essential oil extracted from the seeds.
- In the beverage sector, fennel seed is used as a flavoring in certain beers and sparkling waters, and as a natural sweetener in non‑alcoholic drinks.
Fragrance and cosmetics:
- The high anethole content gives fennel essential oil a pleasant, sweet scent, making it a common fragrance ingredient in soaps, shampoos, lotions, and body washes.
- It is also used in deodorants and insect‑repellent formulations for its mild, pleasant aroma and mild insecticidal properties.
Properties relevant to use:
- The oil’s high unsaturated fatty acid content provides a low‑smoke point and good oxidative stability for culinary uses.
- Anethole, the dominant constituent of the essential oil, is a volatile phenylpropanoid that imparts the characteristic sweet, licorice aroma and contributes to the oil’s antimicrobial activity.
- The presence of fenchone and estragole adds complexity to the fragrance profile and influences the oil’s solubility in water‑based cosmetic formulations.
Standards and regulation:
- In the European Union, fennel essential oil is approved as a food additive (E 627) and as a flavoring substance under the EU Food Additives Regulation (EC No 1333/2008).
- Under the EU Cosmetics Regulation (EC No 1223/2009), fennel essential oil is listed as a permitted cosmetic ingredient, subject to concentration limits in leave‑on products.
- Codex Alimentarius Commission (CXC) lists fennel seed oil and essential oil as safe for use in food and beverages, with specified maximum levels for estragole in food products.
Sustainability and sourcing:
- Fennel is cultivated in temperate regions (Europe, North America, Australia) and is often grown as a short‑cycle crop, allowing multiple harvests per year.
- Organic and biodynamic certifications are available for fennel production, and the plant’s low input requirements (minimal fertilizer and pesticide use) support sustainable agricultural practices.
- Harvested seeds are typically processed locally, reducing transportation emissions and supporting regional economies.
Synonyms Top
| Scientific name | Authority | First published in |
|---|---|---|
| Ligusticum foeniculum | Roth | Tent. Fl. Germ. 1: 124 (1788) |
| Meum foeniculum | Spreng. | Syst. Veg., ed. 15 bis 6: 483 (1820) |
| Meum piperitum | Schult. | Syst. Veg., ed. 15 bis 6: 435 (1820) |
| Ozodia foeniculacea | Wight & Arn. | Prodr. Fl. Ind. Orient. : 375 (1834) |
| Selinum foeniculum | E.H.L.Krause | Deutschl. Fl. Abbild. , ed. 2, 12: 115 (1904) |
| Seseli piperitum | Koso-Pol. | Bull. Soc. Imp. Naturalistes Moscou , n.s., 29: 183 (1915 publ. 1916) |
| Seseli dulce | Koso-Pol. | Bull. Soc. Imp. Naturalistes Moscou , n.s., 29: 183 (1915 publ. 1916) |
| Seseli foeniculum | Koso-Pol. | Bull. Soc. Imp. Naturalistes Moscou , n.s., 29: 183 (1915 publ. 1916) |
| Anethum dulce | DC. | Cat. Pl. Horti Monsp. : 78 (1813) |
| Anethum foeniculum | L. | Sp. Pl. : 263 (1753) |
| Anethum minus | Gouan | Ill. Observ. Bot. : 20 (1773) |
| Anethum panmori | Roxb. | Asiat. Res. 11: 156 (1810) |
| Anethum panmorium | Roxb. | Asiat. Res. 11: 156 (1810) |
| Anethum piperitum | Ucria | Arch. Bot. [Leipzig] 1(1): 68. 1796 |
| Anethum rupestre | Salisb. | Prodr. Stirp. Chap. Allerton : 168 (1796) |
| Foeniculum azoricum | Mill. | Gard. Dict. ed. 8 : n.º 3 (1768) |
| Foeniculum capillaceum | Gilib. | Fl. Lit. Inch. ii. 40. 1782 |
| Foeniculum divaricatum | Griseb. | Spic. Fl. Rumel. 1: 358 (1843) |
| Foeniculum dulce | Mill. | Gard. Dict. ed. 8 : n.º 2 (1768) |
| Foeniculum foeniculum | H.Karst. | Deut. Fl. (Karsten) 837. 1882 [Sep 1882] |
| Foeniculum giganteum | Lojac. | Fl. Sicul. 3: 445 (1909) |
| Foeniculum officinale | All. | Fl. Pedem. 2: 25 (1785) |
| Foeniculum panmorium | DC. | Prodr. 4: 142 (1830) |
| Foeniculum rigidum | Brot. ex Steud. | Nomencl. Bot. , ed. 2, 1: 643 (1840) |
| Foeniculum vulgare subsp. piperitum | (C.Presl) Bég. | Ann. Mus. Civico Storia Nat. "Giacomo Doria" III, 3: 447 1907 |
| Foeniculum vulgare var. sativum | C.Presl | Fl. Sicul. xxvi 1826 |
| Foeniculum vulgare subsp. sativum | Janch. ex Holub | Folia Geobot. Phytotax. 28(1): 106. 1993 |
| Foeniculum vulgare var. capillaceum | Burnat | Fl. Alpes Marit. 4: 179 1906 |
| Foeniculum vulgare var. dulce | (Mill.) Batt. & Trab. | Fl. Algérie Tunisie 147 1905 |
| Foeniculum vulgare var. inodorum | Maire | Bull. Soc. Hist. Nat. Afrique N. 26: 205 1935 |
| Foeniculum vulgare var. piperitum | (C.Presl) Ball | Spic. Moroc. 472 1878 |
| Foeniculum vulgare subsp. capillaceum | (Burnat) Holmboe | Stud. Veg. Cypr. 140 1914 |
| Ligusticum foeniculum | Crantz | Cl. Umbell. Emend. : 82 (1767) |
| Anethum pannorium | Roxb. | |
| Meum piperatum | Ten. | Fl. Napol. 3: 291. [1824-1829] |
| Meum piperinum | Colla | Herb. Pedem. iii. 46. |
| Tenoria romana | Schk. ex Spreng. | Syst. Veg., ed. 15 bis [Roemer & Schultes] 6: 434. 1820 [Aug-Dec 1820] |
| Foeniculum vulgare | (Mill.) Holub | Folia Geobot. Phytotax. 28: 107 (1993) |
| Foeniculum vulgare | (C.Presl) Janch. ex Holub | Folia Geobot. Phytotax. 28: 106 (1993) |
| Foeniculum officinale var. silvestre | Alef. | Landw. Fl. : 155 (1866) |
| Foeniculum officinale var. hortorum | Alef. | Landw. Fl. : 155 (1866) |
| Foeniculum officinale var. dulce | (Mill.) Alef. | Landw. Fl. : 156 (1866) |
| Anethum foeniculum var. dulce | (Mill.) Nois. | Man. Compl. Jard. 2: 370 (1825) |
| Foeniculum capillaceum prol. dulce | (Mill.) Rouy & E.G.Camus | Fl. France 7: 278 (1901) |
| Foeniculum capillaceum var. macrocarpum | Rouy & E.G.Camus | Fl. France 7: 270 (1901) |
| Foeniculum officinale subsp. sativum | (C.Presl) Arcang. | Comp. Fl. Ital. : 283 (1882) |
| Foeniculum vulgare subsp. pateri | Prodan | Prodr. Fl. Român. 2: 124 (1923) |
| Foeniculum vulgare var. azoricum | (Mill.) P.Fourn. | Quatre Fl. France : 683 (1937) |
| Foeniculum officinale subsp. pateri | Prodan | Prodr. Fl. Român. 2: 124 (1923) |
| Foeniculum piperitum subsp. divaricatum | (Griseb.) Nyman | Consp. Fl. Eur. : 292 (1879) |
| Foeniculum piperitum var. pluriradiatum | Boiss. | Fl. Orient. 2: 975 (1872) |
| Foeniculum officinale var. sativum | (C.Presl) Arcang. | Comp. Fl. Ital. : 283 (1882) |
| Foeniculum vulgare f. dulce | (Mill.) Fiori & Paol. | Fl. Anal. Italia 2: 173 (1900) |
| Foeniculum officinale subsp. dulce | (Mill.) Nyman | Consp. Fl. Eur. : 292 (1879) |
| Foeniculum officinale var. dulce | (Mill.) P.Fourn. | Quatre Fl. France : 683 (1937) |
| Foeniculum vulgare f. pateri | (Prodan) Borza | Consp. Fl. Roman. : 202 (1949) |
Common names Top
Add a new one! Suggest a correction!| Language | Common/alternative name |
|---|---|
| English | sweet fennel |
| English | fennel |
| Spanish | hinojo |
| Spanish | acinojo |
| Spanish | anethum foeniculum var piperitum |
| Spanish | anethum foeniculum var. piperitum |
| Spanish | anis bravo |
| Spanish | anís bravo |
| Spanish | anis de florencia |
| Spanish | anís de florencia |
| Spanish | anisete silvestre |
| Spanish | arinojo |
| Spanish | caniguera |
| Spanish | cañiguera |
| Spanish | cenojo |
| Spanish | cenoyo |
| Spanish | cinoho |
| Spanish | cinojo |
| Spanish | cinoyo |
| Spanish | enoyo |
| Spanish | esmeldo |
| Spanish | fanoyo |
| Spanish | feniculo |
| Spanish | fenículo |
| Spanish | fenojo |
| Spanish | fenollo |
| Spanish | fenoyo |
| Spanish | fenullo |
| Spanish | finojo |
| Spanish | fiollo |
| Spanish | fioyo |
| Spanish | funcho |
| Spanish | funcho bravo |
| Spanish | funcho ordinario |
| Spanish | funcho silvestre |
| Spanish | hacinojo |
| Spanish | hinojo amargo |
| Spanish | hinojo comun |
| Spanish | hinojo común |
| Spanish | hinojo domestico |
| Spanish | hinojo doméstico |
| Spanish | hinojo hortense |
| Spanish | hinojo salvaje |
| Spanish | hinojo vulgar |
| Spanish | inojo |
| Spanish | jenoyo |
| Spanish | jinojo |
| Spanish | mellu |
| Spanish | millua |
| Spanish | perejil de gitano |
| Spanish | tenojo |
| Spanish | tinojo |
| Spanish | zenojo |
| Spanish | zenoll |
| Spanish | zenollo |
| Spanish | zenullo |
| Spanish | zinojo |
| Spanish | foeniculum azoricum |
| Spanish | foeniculum officinale |
| Spanish | anethum dulce |
| Spanish | anethum piperitum |
| Spanish | foeniculum divaricatum |
| Spanish | foeniculum dulce |
| Spanish | meum piperitum |
| Spanish | anethum foeniculum |
| Spanish | foeniculum capillaceum |
| Spanish | foeniculum capillaceum var. macrocarpum |
| Spanish | foeniculum officinale subsp. dulce |
| Spanish | foeniculum officinale subsp. pateri |
| Spanish | foeniculum officinale var. dulce |
| Spanish | foeniculum officinale var. sativum |
| Spanish | foeniculum piperitum subsp. divaricatum |
| Spanish | foeniculum piperitum var. pluriradiatum |
| Spanish | ligusticum foeniculum |
| Spanish | meum foeniculum |
| ace | jeura manèh |
| Afrikaans | vinkel |
| Arabic | شمر |
| Arabic | الشمر |
| Arabic | شومر |
| Arabic | شمرة شائعة |
| Arabic | البسباس |
| Arabic | شبث |
| Arabic | الشمر البري |
| Arabic | شمار |
| Arabic | شمرة عذبة |
| Arabic | رازيانج |
| Arabic | سذاب البر |
| Arabic | فينوكيا |
| Assamese | চফ |
| Azerbaijani | adi razyana |
| azb | رازیانه |
| ba | Фенхель үләне |
| ban | adas |
| Belarusian | фенхель звычайны |
| Bulgarian | резене |
| bjn | adas |
| Bengali | গুড়ামুসুরী |
| Bengali | পান মুহুরী |
| Bengali | মিঠা জিরা |
| Bengali | মৌরী |
| Bengali | মৌরি |
| br | fanouilh |
| br | lost-louarn |
| Bosnian | komorač |
| Catalan | fonoll |
| Catalan | fenoll |
| ce | Йиппар |
| co | finochju |
| Czech | fenykl obecný |
| Czech | fenykl |
| Welsh | ffenigl |
| Danish | almindelig fennikel |
| German | echter fenchel |
| German | fenchelkraut |
| German | fencheltee |
| German | gemüsefenchel |
| German | fenchel |
| dv | ދަވިއްގަނދު |
| Greek | Μάραθος |
| Greek | Μάραθρο |
| Greek | Φοινίκουλον |
| Greek | Μάραθο |
| eml | fnòć |
| Esperanto | ordinara fenkolo |
| Estonian | harilik apteegitill |
| Basque | mihilu |
| Persian | رازیانه |
| Finnish | maustefenkoli |
| Finnish | italiankumina |
| Finnish | saksankumina |
| Finnish | salaattifenkoli |
| Finnish | salaattivenkoli |
| Finnish | fenkoli |
| French | fenouil commun |
| French | fenouil sauvage |
| frr | fenchel |
| Irish | finéal |
| Galician | hinoxo |
| Galician | fiúncho |
| glk | عدس |
| gom | बडिशेप |
| gor | denggu-denggu |
| Gujarati | વરિયાળી |
| Hausa | fennel |
| Hebrew | שומר פשוט |
| Hindi | सौंफ़ |
| Hindi | सौंफ |
| hil | inóho |
| Croatian | komorač |
| Upper Sorbian | bjenchl |
| Upper Sorbian | koprica |
| ht | anis |
| Hungarian | foeniculi fructus |
| Hungarian | kerti édeskömény |
| Hungarian | édeskömény |
| Armenian | Հոռոմ-սամիթ սովորական |
| Indonesian | adas pedas |
| Indonesian | pohon adas |
| Indonesian | adas |
| io | fenikulo |
| Icelandic | fennikka |
| Italian | finocchi |
| Italian | finocchietto |
| Italian | finocchio selvatico |
| Italian | finocchio |
| Japanese | フェンネル |
| Japanese | 茴香 |
| Japanese | ういきょう |
| Japanese | フヌイユ |
| Japanese | 小茴香 |
| Japanese | ウイキョウ |
| jv | adas |
| Georgian | დიდი კამა |
| Kabyle | tansawt |
| Kazakh | Волош аскөгі |
| Kannada | ಸೊಂಪು |
| Korean | 회향 |
| ku | cehcehik |
| ku | rizyane |
| Cornish | fenoghel |
| la | feniculum |
| lb | fenchel |
| lij | fenoggio |
| lmo | fenòcc |
| lmo | fenoeugg |
| Lithuanian | pankolis |
| Lithuanian | paprastasis pankolis |
| Latvian | parastais fenhelis |
| mad | aḍḍhâs |
| mai | सुप |
| min | adeh |
| Macedonian | коморач |
| Macedonian | морач |
| Malayalam | fennel |
| Malayalam | സ്ഥൂലജീരകം |
| Malayalam | പെരുംജീരകം |
| mnc | ᠰᡠᠰᡝᡵᡳ |
| Marathi | बडीसोप |
| Marathi | बडीशेप |
| Malay | pokok adas |
| mt | busbies |
| mt | bużbież |
| mwl | fenolho |
| mwl | finolho |
| Burmese | စမုန်စပါး |
| mzn | واتک |
| nap | fënuocchië salvátëchë |
| Norwegian Bokmål | fenikkel |
| Norwegian Bokmål | fennikel |
| Nepali | सुप |
| Dutch | venkel |
| Dutch | knolvenkel |
| Norwegian Nynorsk | fennikel |
| oc | fenolh |
| oc | fenon |
| oc | henolh |
| oc | holh |
| Oriya | ପାନମଧୁରୀ |
| os | Агъунцъагæ |
| Punjabi | ਮੇਥੀ |
| Polish | fenkuł |
| Polish | koper włoski |
| Polish | fenkuł włoski |
| Polish | anethum foeniculum |
| Punjab | سونف |
| Punjab | میتھی |
| Portuguese | anis-doce |
| Portuguese | erva doce |
| Portuguese | erva docê |
| Portuguese | funcho |
| Portuguese | erva-doce |
| Portuguese | fiolho |
| Quechua | inuhu |
| Romanian | molură |
| Romanian | fenicul |
| Russian | укроп аптечный |
| Russian | укроп волошский |
| Russian | фенхель обыкновенный |
| sc | fenuju areste |
| sc | fenugu |
| sco | finkle |
| sd | وڏڦ |
| Serbo-Croatian | komorač |
| Sinhala | මාදුරු |
| Slovak | fenikel obyčajný |
| Slovenian | komarček |
| Slovenian | navadni komarček |
| Albanian | finoku |
| Albanian | maraja |
| Serbian | Коморач |
| su | adas |
| Swedish | fänkol |
| Swedish | fänkål |
| szy | nipaluma-yamsu, yamso |
| Tamil | சோம்பு |
| Tamil | பெருஞ்சீரகம் |
| Telugu | సోంపు |
| tg | Бодиён, зираи сафед |
| tg | арпабодиён |
| tg | зираи сафед |
| tg | розиёна |
| tg | бодиён |
| Thai | ผักชีล้อม |
| Thai | ยี่หร่าฝรั่ง |
| Turkish | rezene |
| Ukrainian | фенхель |
| Ukrainian | фенхель звичайний |
| Urdu | fennel |
| Urdu | سونف |
| Chinese | 孜然芹 |
| Chinese | 小茴香 |
| Chinese | 小茴香根皮 |
| Chinese | 茴香 |
| Chinese | 茴香(小茴香) |
| Chinese | 茴香子 |
| Chinese | 茴香根 |
| Chinese | 茴香茎叶 |
Germination/Propagation Top
Suggest a correction or add new data!| Sow seeds at 20°C, expecting germination within 3 months without further temperature treatment. |
Distribution (via POWO/KEW) Top
No distribution data was extracted from POWO/KEW yet. We are constantly monitoring for new data.
Links to other databases Top
Suggest others/fix!| Database | ID/link to page |
|---|---|
| World Flora Online | wfo-0000691487 |
| UNII | J1UK54JBGH |
| Florida Plant Atlas | 1767 |
| Canadensys | 2579 |
| USDA Plants | FOVU |
| Tropicos | 1700130 |
| INPN | 98756 |
| KEW | urn:lsid:ipni.org:names:842680-1 |
| The Plant List | kew-2813604 |
| Missouri Botanical Garden | 275990 |
| PFAF | Foeniculum vulgare |
| Open Tree Of Life | 498475 |
| Observations.org | 6793 |
| NCBI Taxonomy | 48038 |
| NBN Atlas | NHMSYS0000458868 |
| Nature Serve | 2.159195 |
| IPNI | 136027-1 |
| iNaturalist | 53052 |
| GBIF | 3034922 |
| Freebase | /m/017dqv |
| WisFlora | 8249 |
| EPPO | FOEVU |
| EOL | 585008 |
| Elurikkus | 4781 |
| Calflora (Californian flora) | 3603 |
| US Library of Congress | sh85047800 |
| USDA GRIN | 300219 |
| Wikipedia | Fennel |
| CMAUP | NPO28295 |
| Plantarium | 16499 |
| NCBI Taxonomy | 2849586 |
Genomes (via NCBI) Top
Below is displayed the reference genome only!
If you wish to browse all genomes for this plant click here.
If you wish to browse all genomes for this plant click here.
| Accession | Assembly | |||||
|---|---|---|---|---|---|---|
| Name | Level | Submitter | Released | Coverage | Size | |
| GCA_003724115.2 | FoenVul1.1 | Scaffold | University of Padua | 2021-09-21 | N/A | 0.94 Gb |
Scientific Literature Top
Below are displayed the latest 15 articles published in PMC (PubMed Central®) and other sources (DOI number only)!
If you wish to see all the related articles click here.
If you wish to see all the related articles click here.
Phytochemical Profile Top
Add a new one!
Below are displayed the proven (via scientific papers) natural compounds!
You can also contribute to this by clicking here.
You can also contribute to this by clicking here.
| Name | PubChem ID | Canonical SMILES | MW | Found in | Proof |
|---|---|---|---|---|---|
| > Acetylides | |||||
| Propargyl alcohol | 7859 | Click to see | 56.06 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives | |||||
| Benzaldehyde, oxime, (Z)- | 5324470 | Click to see C1=CC=C(C=C1)C=NO | 121.14 | unknown | via CMAUP database |
| Diphenylcyclopropenone | 65057 | Click to see | 206.24 | unknown | via CMAUP database |
| Durene | 7269 | Click to see | 134.22 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters | |||||
| Butyl isobutyl phthalate | 28813 | Click to see | 278.34 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives | |||||
| 2,5-Dihydroxybenzoic acid | 3469 | Click to see | 154.12 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives | |||||
| Syringic Acid | 10742 | Click to see | 198.17 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives | |||||
| Vanillic Acid | 8468 | Click to see COC1=C(C=CC(=C1)C(=O)O)O | 168.15 | unknown | https://doi.org/10.1021/JF0713253 |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / P-methoxybenzoic acids and derivatives | |||||
| 3,4-Dimethoxybenzoic acid | 7121 | Click to see COC1=C(C=C(C=C1)C(=O)O)OC | 182.17 | unknown | https://doi.org/10.1021/JF0713253 |
| 4-Methoxybenzoate | 3783514 | Click to see | 151.14 | unknown | via CMAUP database |
| 4-Methoxybenzoic Acid | 7478 | Click to see | 152.15 | unknown |
https://doi.org/10.1021/JF0713253 https://doi.org/10.1079/9781845934057.0227 https://doi.org/10.1248/CPB.47.1448 |
| Methyl anisate | 8499 | Click to see | 166.17 | unknown | https://doi.org/10.1021/JF0713253 |
| > Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives | |||||
| 4-Methoxybenzaldehyde | 31244 | Click to see | 136.15 | unknown |
https://doi.org/10.1080/10412905.1992.9698137 https://doi.org/10.1211/0022357991777218 https://doi.org/10.1021/JF0713253 https://doi.org/10.1079/9781845934057.0227 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5615285/ https://doi.org/10.1021/JF000171N https://doi.org/10.1007/BF02860485 |
| Benzaldehyde | 240 | Click to see | 106.12 | unknown | via CMAUP database |
| Npc214776 | 11252044 | Click to see | 137.15 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Benzyl alcohols | |||||
| 4-Methoxybenzyl alcohol | 7738 | Click to see COC1=CC=C(C=C1)CO | 138.16 | unknown |
https://doi.org/10.1089/JMF.2008.0327 https://doi.org/10.1211/0022357991777218 |
| > Benzenoids / Benzene and substituted derivatives / Cumenes | |||||
| m-Cymene | 10812 | Click to see CC1=CC(=CC=C1)C(C)C | 134.22 | unknown | https://doi.org/10.1016/J.JPBA.2006.01.024 |
| o-Cymene | 10703 | Click to see CC1=CC=CC=C1C(C)C | 134.22 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Methoxybenzenes / Dimethoxybenzenes | |||||
| 1,4-Dimethoxybenzene | 9016 | Click to see | 138.16 | unknown | via CMAUP database |
| Isoeugenyl methyl ether | 1549045 | Click to see CC=CC1=CC(=C(C=C1)OC)OC | 178.23 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Phenylpropanes | |||||
| (1S,2S)-1-(4-methoxyphenyl)propane-1,2-diol | 12387012 | Click to see | 182.22 | unknown | https://doi.org/10.1021/JF0713253 |
| 1-(4-Methoxyphenyl)propane-1,2-diol | 3016654 | Click to see CC(C(C1=CC=C(C=C1)OC)O)O | 182.22 | unknown |
https://doi.org/10.1248/CPB.47.1448 https://doi.org/10.1021/JF0713253 |
| 1-(p-Methoxyphenyl)-2-propanone | 31231 | Click to see | 164.20 | unknown | via CMAUP database |
| 2-Methoxyphenylacetone | 78887 | Click to see | 164.20 | unknown | https://doi.org/10.1016/J.JPBA.2006.01.024 |
| Cathine | 441457 | Click to see | 151.21 | unknown | https://doi.org/10.1016/J.JPBA.2006.01.024 |
| Erythro Anethole Glycol | 9799166 | Click to see | 182.22 | unknown | https://doi.org/10.1248/CPB.47.1448 |
| > Benzenoids / Benzene and substituted derivatives / Styrenes | |||||
| Styrene | 7501 | Click to see C=CC1=CC=CC=C1 | 104.15 | unknown | via CMAUP database |
| trans-beta-METHYLSTYRENE | 252325 | Click to see | 118.18 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Xylenes / m-Xylenes | |||||
| 2,4-Dimethylaniline | 7250 | Click to see | 121.18 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Xylenes / o-Xylenes | |||||
| 1,2-Dimethyl-4-ethylbenzene | 13629 | Click to see | 134.22 | unknown | via CMAUP database |
| > Benzenoids / Naphthalenes / Naphthoquinones | |||||
| Juglone | 3806 | Click to see | 174.15 | unknown | via CMAUP database |
| > Benzenoids / Phenol esters | |||||
| 1-Acetoxy-2-methoxy-4-(1-propenyl)benzene | 7137 | Click to see CC=CC1=CC(=C(C=C1)OC(=O)C)OC | 206.24 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268697/ |
| Isoeugenyl acetate | 876160 | Click to see CC=CC1=CC(=C(C=C1)OC(=O)C)OC | 206.24 | unknown | via CMAUP database |
| Isoeugenyl acetate, (Z)- | 1715136 | Click to see | 206.24 | unknown | via CMAUP database |
| > Benzenoids / Phenol ethers | |||||
| Mephenesin | 4059 | Click to see | 182.22 | unknown | https://doi.org/10.1016/J.JPBA.2006.01.024 |
| > Benzenoids / Phenol ethers / Anisoles | |||||
| 1-Methoxy-4-Prop-1-Enylbenzene | 7703 | Click to see | 148.20 | unknown |
https://doi.org/10.1016/S0168-9452(02)00279-0 https://doi.org/10.1002/PS.274 https://doi.org/10.1211/0022357991777218 https://doi.org/10.1021/JF0713253 https://doi.org/10.1055/S-2006-962632 https://doi.org/10.1016/J.JPBA.2006.01.024 https://doi.org/10.1055/S-2006-962631 https://doi.org/10.1021/JF000171N |
| 4-Methoxybenzaldehyde oxime | 5371961 | Click to see COC1=CC=C(C=C1)C=NO | 151.16 | unknown | via CMAUP database |
| Anethole | 637563 | Click to see | 148.20 | unknown |
https://doi.org/10.1016/S0168-9452(02)00279-0 https://doi.org/10.1016/S0305-1978(96)00106-8 https://doi.org/10.1055/S-2006-962632 https://doi.org/10.1055/S-2006-962631 https://doi.org/10.1002/PS.274 https://doi.org/10.1094/PHYTO.2000.90.7.710 https://doi.org/10.1080/10412905.1994.9698394 https://doi.org/10.1211/0022357991777218 https://doi.org/10.1021/JF0713253 https://doi.org/10.1080/10412905.1993.9698207 https://doi.org/10.1080/10412905.1992.9698137 https://doi.org/10.1079/9781845934057.0227 https://doi.org/10.1021/JF000171N |
| Anethole, (Z)- | 1549040 | Click to see CC=CC1=CC=C(C=C1)OC | 148.20 | unknown |
https://doi.org/10.1089/JMF.2008.0327 https://doi.org/10.1080/10412905.1992.9698137 |
| Anisole | 7519 | Click to see COC1=CC=CC=C1 | 108.14 | unknown | via CMAUP database |
| Anisylacetone | 61007 | Click to see CC(=O)CCC1=CC=C(C=C1)OC | 178.23 | unknown | via CMAUP database |
| Elemicin | 10248 | Click to see | 208.25 | unknown | via CMAUP database |
| Estragole | 8815 | Click to see | 148.20 | unknown |
https://doi.org/10.1016/S0168-9452(02)00279-0 https://doi.org/10.1016/S0305-1978(96)00106-8 https://doi.org/10.1016/J.ARABJC.2010.11.006 https://doi.org/10.1055/S-2006-962632 https://doi.org/10.1055/S-2006-962631 https://doi.org/10.1002/PS.274 https://doi.org/10.1211/0022357991777218 https://doi.org/10.1021/NP400653P https://doi.org/10.1080/10412905.1993.9698207 https://doi.org/10.1080/10412905.1992.9698137 https://doi.org/10.1079/9781845934057.0227 https://doi.org/10.1055/S-2000-9773 |
| > Benzenoids / Phenols / Benzenediols / Resorcinols | |||||
| Resorcinol | 5054 | Click to see | 110.11 | unknown | via CMAUP database |
| > Benzenoids / Phenols / Methoxyphenols | |||||
| (1R)-1-(3-Hydroxy-4-methoxyphenyl)-1,2-ethanediol | 10631337 | Click to see | 184.19 | unknown | https://doi.org/10.1248/CPB.44.337 |
| Eugenol | 3314 | Click to see | 164.20 | unknown | via CMAUP database |
| Isomhpg | 170451 | Click to see | 184.19 | unknown | https://doi.org/10.1248/CPB.44.337 |
| > Hydrocarbons / Polycyclic hydrocarbons | |||||
| 4-Methylbicyclo[3.1.0]hex-2-ene | 144895707 | Click to see | 94.15 | unknown | https://doi.org/10.1016/J.JPBA.2006.01.024 |
| > Hydrocarbons / Saturated hydrocarbons / Alkanes | |||||
| Docosane | 12405 | Click to see CCCCCCCCCCCCCCCCCCCCCC | 310.60 | unknown | via CMAUP database |
| Heneicosane | 12403 | Click to see | 296.60 | unknown | via CMAUP database |
| Pentane | 8003 | Click to see | 72.15 | unknown | via CMAUP database |
| Tricosane | 12534 | Click to see CCCCCCCCCCCCCCCCCCCCCCC | 324.60 | unknown | via CMAUP database |
| > Hydrocarbons / Saturated hydrocarbons / Cycloalkanes | |||||
| Cyclopropane | 6351 | Click to see | 42.08 | unknown | via CMAUP database |
| > Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons | |||||
| (4aS,8S,8aR)-4,4,8,8a-tetramethyl-7-methylidene-2,3,4a,5,6,8-hexahydro-1H-naphthalene | 12184338 | Click to see | 206.37 | unknown | via CMAUP database |
| 6-Methylene-bicyclo(3.1.0)hexane | 556304 | Click to see | 94.15 | unknown | https://doi.org/10.1016/J.JPBA.2006.01.024 |
| Gamma-Terpinene | 7461 | Click to see | 136.23 | unknown |
https://doi.org/10.1080/10412905.1994.9698394 https://doi.org/10.1080/10412905.1993.9698207 https://doi.org/10.1080/10412905.1992.9698137 |
| > Hydrocarbons / Unsaturated hydrocarbons / Unsaturated aliphatic hydrocarbons | |||||
| 2-Heptene | 11611 | Click to see CCCCC=CC | 98.19 | unknown | https://doi.org/10.1016/J.JPBA.2006.01.024 |
| 2-Heptene, (2E)- | 639662 | Click to see | 98.19 | unknown | via CMAUP database |
| 2-Heptene, (2Z)- | 643836 | Click to see | 98.19 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Endocannabinoids | |||||
| 1,3-Dihydroxypropan-2-yl 3,8-diacetyloxyicosanoate | 163021367 | Click to see | 502.70 | unknown | https://doi.org/10.1248/CPB.46.1643 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters | |||||
| Methyl butyrate | 12180 | Click to see | 102.13 | unknown | https://doi.org/10.1021/JF050340+ |
| Methyl isovalerate | 11160 | Click to see | 116.16 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268697/ |
| Methyl Palmitate | 8181 | Click to see | 270.50 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Branched fatty acids / Methyl-branched fatty acids | |||||
| 2-(1-Methylethyl)pentanoic acid | 147513 | Click to see | 144.21 | unknown | https://doi.org/10.1016/J.JPBA.2006.01.024 |
| 2-Methylbutanoic Acid | 8314 | Click to see | 102.13 | unknown | https://doi.org/10.1021/JF050340+ |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids | |||||
| 9-Octadecenoic Acid | 965 | Click to see | 282.50 | unknown | https://doi.org/10.1021/JF020504B |
| Elaidic Acid | 637517 | Click to see CCCCCCCCC=CCCCCCCCC(=O)O | 282.50 | unknown | https://doi.org/10.1021/JF020504B |
| Oleic Acid | 445639 | Click to see | 282.50 | unknown |
https://doi.org/10.1007/BF02660162 https://doi.org/10.1079/9781845934057.0227 |
| Oleic acid-d2 | 13011408 | Click to see CCCCCCCCC=CCCCCCCCC(=O)O | 284.50 | unknown | via CMAUP database |
| Palmitic Acid | 985 | Click to see | 256.42 | unknown | https://doi.org/10.1007/BF02660162 |
| Petroselinic Acid | 5281125 | Click to see | 282.50 | unknown |
https://doi.org/10.1079/9781845934057.0227 https://doi.org/10.1007/BF02660162 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids | |||||
| Sorbic Acid | 643460 | Click to see | 112.13 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268697/ |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides | |||||
| (2S,3R,4S,5S,6R)-2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 163185759 | Click to see | 372.40 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 |
| (2S,3R,4S,5S,6R)-2-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 162885540 | Click to see | 372.40 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 |
| beta-D-Glucopyranoside, (2E,6R)-6-hydroxy-2,6-dimethyl-2,7-octadienyl | 72970728 | Click to see | 332.39 | unknown | https://doi.org/10.1248/CPB.46.1748 |
| Betulalbuside A | 10382095 | Click to see | 332.39 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters | |||||
| 9-Acetoxynonanal | 537145 | Click to see CC(=O)OCCCCCCCCC=O | 200.27 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268697/ |
| Geranyl butyrate | 5355856 | Click to see CCCC(=O)OCC=C(C)CCC=C(C)C | 224.34 | unknown | https://doi.org/10.1055/S-2000-9773 |
| tris[(8Z,11Z)-heptadeca-8,11-dienyl] propane-1,2,3-tricarboxylate | 45109763 | Click to see | 879.40 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols | |||||
| (R)-(-)-2-Heptanol | 6992611 | Click to see CCCCCC(C)O | 116.20 | unknown | via CMAUP database |
| (R)-oct-1-en-3-ol | 6992244 | Click to see | 128.21 | unknown | via CMAUP database |
| (S)-1-Octen-3-ol | 2724898 | Click to see CCCCCC(C=C)O | 128.21 | unknown | via CMAUP database |
| 1-Octanol | 957 | Click to see CCCCCCCCO | 130.23 | unknown | via CMAUP database |
| 1-Octen-3-Ol | 18827 | Click to see | 128.21 | unknown | via CMAUP database |
| 1-Undecanol | 8184 | Click to see | 172.31 | unknown | via CMAUP database |
| 2-Heptanol | 10976 | Click to see CCCCCC(C)O | 116.20 | unknown | via CMAUP database |
| 2-Heptanol, (+)- | 2724897 | Click to see | 116.20 | unknown | via CMAUP database |
| 2-Oxiranepentanol, gamma,3,3-trimethyl- | 98467 | Click to see | 172.26 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268697/ |
| 5-Methyl-2-heptanol | 41143 | Click to see CCC(C)CCC(C)O | 130.23 | unknown | https://doi.org/10.1016/J.JPBA.2006.01.024 |
| Hexane-1,6-diol | 12374 | Click to see C(CCCO)CCO | 118.17 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols | |||||
| (3S,9E)-heptadeca-1,9-dien-4,6-diyn-3-ol | 71308196 | Click to see | 244.37 | unknown | via CMAUP database |
| (E,R)-Heptadeca-1,9-dien-4,6-diyne-3-ol | 56935896 | Click to see | 244.37 | unknown | via CMAUP database |
| (S)-Falcarinol | 5469789 | Click to see | 244.37 | unknown | via CMAUP database |
| 1-Tridecanol | 8207 | Click to see CCCCCCCCCCCCCO | 200.36 | unknown | via CMAUP database |
| cis-(-)-Heptadeca-1,9-dien-4,6-diyn-3-ol | 5353620 | Click to see CCCCCCCC=CCC#CC#CC(C=C)O | 244.37 | unknown | via CMAUP database |
| Heptadeca-1,9-dien-4,6-diyn-3-ol | 3322 | Click to see | 244.37 | unknown | via CMAUP database |
| Panaxynol | 5281149 | Click to see | 244.37 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes | |||||
| Pentadeca-2,14-dienal | 71348716 | Click to see | 222.37 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives | |||||
| Linoleic Acid | 5280450 | Click to see CCCCCC=CCC=CCCCCCCCC(=O)O | 280.40 | unknown |
https://doi.org/10.1007/BF02660162 https://doi.org/10.1079/9781845934057.0227 |
| Npc223695 | 5867807 | Click to see | 279.40 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids | |||||
| Isophytol | 10453 | Click to see CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O | 296.50 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Taxanes and derivatives | |||||
| [(1R,2R,3Z,5S,7S,8E,10R,13S)-7,9,10,13-tetraacetyloxy-2,5-dihydroxy-8,12,15,15-tetramethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl]methyl acetate | 100927232 | Click to see | 594.60 | unknown | https://doi.org/10.1248/CPB.46.1587 |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids | |||||
| 2,6-Dimethyl-2,4,6-octatriene | 5368821 | Click to see CC=C(C)C=CC=C(C)C | 136.23 | unknown | via CMAUP database |
| 5,9-Dimethyldeca-3,8-dien-5-ol | 121513943 | Click to see | 182.30 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268697/ |
| beta-Ocimene | 18756 | Click to see CC(=CCC=C(C)C=C)C | 136.23 | unknown | via CMAUP database |
| beta-OCIMENE, (3E)- | 5281553 | Click to see | 136.23 | unknown | via CMAUP database |
| beta-Ocimene, (3Z)- | 5320250 | Click to see | 136.23 | unknown | https://doi.org/10.1080/10412905.1992.9698137 |
| cis-alpha-Ocimene | 5463455 | Click to see | 136.23 | unknown | https://doi.org/10.1055/S-2000-9773 |
| Citronellol | 8842 | Click to see | 156.26 | unknown | https://doi.org/10.1007/BF02860485 |
| Ethyl linalool | 6433547 | Click to see | 168.28 | unknown | via CMAUP database |
| Ethyl linalool, (Z)- | 22825880 | Click to see | 168.28 | unknown | via CMAUP database |
| Geraniol | 637566 | Click to see CC(=CCCC(=CCO)C)C | 154.25 | unknown | https://doi.org/10.1007/BF02860485 |
| Linalool | 6549 | Click to see | 154.25 | unknown | via CMAUP database |
| Linalool, (-)- | 443158 | Click to see CC(=CCCC(C)(C=C)O)C | 154.25 | unknown | via CMAUP database |
| Linalool, (+)- | 67179 | Click to see | 154.25 | unknown | via CMAUP database |
| Myrcene | 31253 | Click to see | 136.23 | unknown |
https://doi.org/10.1080/10412905.1992.9698137 https://doi.org/10.1055/S-0028-1099968 https://doi.org/10.1080/10412905.1993.9698207 https://doi.org/10.1080/10412905.1994.9698394 |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids | |||||
| 3-p-Isopropylphenyl-3-methylpropanal | 7687 | Click to see CC(C)C1=CC=C(C=C1)C(C)CC=O | 190.28 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268697/ |
| Carvacrol | 10364 | Click to see CC1=C(C=C(C=C1)C(C)C)O | 150.22 | unknown | via CMAUP database |
| Cuminaldehyde | 326 | Click to see CC(C)C1=CC=C(C=C1)C=O | 148.20 | unknown | via CMAUP database |
| Cyclamen aldehyde | 517827 | Click to see | 190.28 | unknown | via CMAUP database |
| Cyclamen aldehyde, (R)- | 40152681 | Click to see CC(C)C1=CC=C(C=C1)CC(C)C=O | 190.28 | unknown | via CMAUP database |
| Cyclamen aldehyde, (S)- | 40152682 | Click to see CC(C)C1=CC=C(C=C1)CC(C)C=O | 190.28 | unknown | via CMAUP database |
| P-Cymene | 7463 | Click to see | 134.22 | unknown |
https://doi.org/10.1211/0022357991777218 https://doi.org/10.1080/10412905.1992.9698137 https://doi.org/10.1055/S-0028-1099968 https://doi.org/10.1080/10412905.1993.9698207 https://doi.org/10.1016/J.JPBA.2006.01.024 https://doi.org/10.1080/10412905.1994.9698394 |
| Thymohydroquinone | 95779 | Click to see CC1=CC(=C(C=C1O)C(C)C)O | 166.22 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268697/ |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids | |||||
| (-)-3-Carene | 442461 | Click to see CC1=CCC2C(C1)C2(C)C | 136.23 | unknown | via CMAUP database |
| (-)-alpha-Fenchol | 439711 | Click to see | 154.25 | unknown | https://doi.org/10.1016/0003-9861(89)90134-3 |
| (-)-beta-Pinene | 440967 | Click to see | 136.23 | unknown | https://doi.org/10.1055/S-0028-1099968 |
| (-)-Camphene | 440966 | Click to see | 136.23 | unknown | via CMAUP database |
| (-)-Fenchone | 82229 | Click to see | 152.23 | unknown | https://doi.org/10.1211/0022357991777218 |
| (-)-Sabinene | 11051711 | Click to see CC(C)C12CCC(=C)C1C2 | 136.23 | unknown | via CMAUP database |
| (-)-Verbenone | 92874 | Click to see CC1=CC(=O)C2CC1C2(C)C | 150.22 | unknown | via CMAUP database |
| (+-)-alpha-Pinene | 6654 | Click to see | 136.23 | unknown |
https://doi.org/10.1055/S-2006-962632 https://doi.org/10.1016/S0305-1978(96)00106-8 https://doi.org/10.1016/J.ARABJC.2010.11.006 https://doi.org/10.1080/10412905.1992.9698137 https://doi.org/10.1079/9781845934057.0227 https://doi.org/10.1055/S-2000-9773 https://doi.org/10.1080/10412905.1993.9698207 https://doi.org/10.1080/10412905.1994.9698394 |
| (+-)-Fenchone | 14525 | Click to see | 152.23 | unknown |
https://doi.org/10.1021/JF020504B https://doi.org/10.1016/S0305-1978(96)00106-8 https://doi.org/10.1055/S-2006-962632 https://doi.org/10.1055/S-2006-962631 https://doi.org/10.1002/PS.274 https://doi.org/10.1080/10412905.1994.9698394 https://doi.org/10.1211/0022357991777218 https://doi.org/10.1080/10412905.1993.9698207 https://doi.org/10.1080/10412905.1992.9698137 https://doi.org/10.1079/9781845934057.0227 https://doi.org/10.1055/S-2000-9773 https://doi.org/10.1021/JF049631T |
| (+)-3-Carene | 443156 | Click to see | 136.23 | unknown | via CMAUP database |
| (+)-4-Carene | 71351627 | Click to see | 136.23 | unknown | via CMAUP database |
| (+)-alpha-Pinene | 82227 | Click to see CC1=CCC2CC1C2(C)C | 136.23 | unknown | https://doi.org/10.1021/JF049033E |
| (+)-alpha-Thujone | 12304612 | Click to see | 152.23 | unknown | via CMAUP database |
| (+)-Bornyl acetate | 6950274 | Click to see CC(=O)OC1CC2CCC1(C2(C)C)C | 196.29 | unknown | via CMAUP database |
| (+)-Camphene | 92221 | Click to see CC1(C2CCC(C2)C1=C)C | 136.23 | unknown | via CMAUP database |
| (+)-cis-Verbenol | 164888 | Click to see | 152.23 | unknown | via CMAUP database |
| (+)-Fenchol | 6997371 | Click to see | 154.25 | unknown | https://doi.org/10.1080/10412905.1993.9698207 |
| (+)-Fenchone | 1201521 | Click to see | 152.23 | unknown |
https://doi.org/10.1021/JF020504B https://doi.org/10.1002/PS.274 https://doi.org/10.1021/JF049631T |
| (+)-Sabinene | 10887971 | Click to see | 136.23 | unknown | via CMAUP database |
| (1R,2S,4R)-(+)-Bornyl acetate | 443131 | Click to see | 196.29 | unknown | via CMAUP database |
| (1R,4R,6R)-1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octane-4,6-diol | 10655153 | Click to see CC1(C2(CCC(O1)(C(C2)O)C)O)C | 186.25 | unknown | https://doi.org/10.1248/CPB.44.337 |
| (1R)-Camphor | 230921 | Click to see | 152.23 | unknown | via CMAUP database |
| (1S,2R,4S)-(-)-Bornyl acetate | 442460 | Click to see | 196.29 | unknown | via CMAUP database |
| (1S,4S,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol | 10487795 | Click to see | 186.25 | unknown | https://doi.org/10.1248/CPB.44.337 |
| (1s)-1,3,3-Trimethyl-norbornan-2-one | 12049113 | Click to see | 152.23 | unknown | via CMAUP database |
| (1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene | 12223113 | Click to see CC1=CCC2CC1C2(C)C | 136.23 | unknown | via CMAUP database |
| (4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one | 16213045 | Click to see | 152.23 | unknown | via CMAUP database |
| (R)-Fenchone; L-(-)-Fenchone; L-Fenchone; l-Fenchone | 2794921 | Click to see CC1(C2CCC(C2)(C1=O)C)C | 152.23 | unknown | via CMAUP database |
| [(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate | 22831486 | Click to see | 196.29 | unknown | via CMAUP database |
| 1,3,3-Trimethyl-2-norbornanyl acetate | 107217 | Click to see | 196.29 | unknown |
https://doi.org/10.1080/10412905.1992.9698137 https://doi.org/10.1016/J.ARABJC.2010.11.006 |
| 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol | 188642 | Click to see CC1(C2(CCC(O1)(C(C2)O)C)O)C | 186.25 | unknown | https://doi.org/10.1248/CPB.44.337 |
| 2,6,6-Trimethyl-bicyclo[3.1.1]heptane, trans | 91015300 | Click to see CC1CCC2CC1C2(C)C | 138.25 | unknown | via CMAUP database |
| 3-Carene | 26049 | Click to see CC1=CCC2C(C1)C2(C)C | 136.23 | unknown | via CMAUP database |
| 3-Thujanone, (-)- | 12304613 | Click to see | 152.23 | unknown | via CMAUP database |
| 4-Carene, (1S,3R,6R)-(-)- | 530422 | Click to see | 136.23 | unknown | via CMAUP database |
| 4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-one | 29025 | Click to see | 150.22 | unknown | via CMAUP database |
| alpha-Bergamotenol | 5368743 | Click to see CC1=CCC2CC1C2(C)CCC=C(C)CO | 220.35 | unknown | via CMAUP database |
| alpha-CIS-BERGAMOTENE | 6429303 | Click to see CC1=CCC2CC1C2(C)CCC=C(C)C | 204.35 | unknown | via CMAUP database |
| alpha-Fenchene | 28930 | Click to see CC1(C2CCC1C(=C)C2)C | 136.23 | unknown | via CMAUP database |
| alpha-Fenchyl acetate | 6427102 | Click to see CC(=O)OC1C(C2CCC1(C2)C)(C)C | 196.29 | unknown | via CMAUP database |
| alpha-Pinene oxide | 91508 | Click to see CC1(C2CC1C3(C(C2)O3)C)C | 152.23 | unknown | via CMAUP database |
| alpha-Thujene | 17868 | Click to see | 136.23 | unknown | via CMAUP database |
| beta-Fenchyl alcohol | 6973643 | Click to see | 154.25 | unknown | via CMAUP database |
| Beta-Pinene | 14896 | Click to see | 136.23 | unknown |
https://doi.org/10.1055/S-2006-962632 https://doi.org/10.1080/10412905.1992.9698137 https://doi.org/10.1055/S-0028-1099968 https://doi.org/10.1055/S-2000-9773 https://doi.org/10.1080/10412905.1993.9698207 https://doi.org/10.1007/BF02860485 |
| Bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-, (1S)- | 3034206 | Click to see CC1(C2CCC(C2)(C1=O)C)C | 152.23 | unknown | via CMAUP database |
| Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, [1S-(1alpha,2beta,5alpha)]- | 2734021 | Click to see CC1=CC(C2CC1C2(C)C)O | 152.23 | unknown | via CMAUP database |
| Bornyl acetate | 6448 | Click to see CC(=O)OC1CC2CCC1(C2(C)C)C | 196.29 | unknown | via CMAUP database |
| Bornyl acetate, (-)- | 93009 | Click to see | 196.29 | unknown | via CMAUP database |
| Camphene | 6616 | Click to see | 136.23 | unknown |
https://doi.org/10.1016/J.ARABJC.2010.11.006 https://doi.org/10.1080/10412905.1992.9698137 https://doi.org/10.1079/9781845934057.0227 https://doi.org/10.1080/10412905.1993.9698207 |
| Camphor | 2537 | Click to see | 152.23 | unknown |
https://doi.org/10.1080/10412905.1992.9698137 https://doi.org/10.1016/J.ARABJC.2010.11.006 |
| Camphor, (-)- | 444294 | Click to see | 152.23 | unknown | via CMAUP database |
| Camphor, (1S)- | 10050 | Click to see | 152.23 | unknown | via CMAUP database |
| D-Camphor | 159055 | Click to see | 152.23 | unknown | via CMAUP database |
| Fenchol | 15406 | Click to see CC1(C2CCC(C2)(C1O)C)C | 154.25 | unknown | https://doi.org/10.1079/9781845934057.0227 |
| Fenchylic alcohol | 91746490 | Click to see | 154.25 | unknown | via CMAUP database |
| Npc126240 | 44630108 | Click to see | 196.29 | unknown | via CMAUP database |
| Npc282305 | 12315151 | Click to see | 154.25 | unknown | via CMAUP database |
| Npc54264 | 9543187 | Click to see | 152.23 | unknown | via CMAUP database |
| Sabinene | 18818 | Click to see | 136.23 | unknown |
https://doi.org/10.1080/10412905.1994.9698394 https://doi.org/10.1080/10412905.1992.9698137 https://doi.org/10.1016/S0305-1978(96)00106-8 |
| Sabinene hydrate | 62367 | Click to see CC(C)C12CCC(C1C2)(C)O | 154.25 | unknown | via CMAUP database |
| Sabinene hydrate | 11744854 | Click to see | 154.25 | unknown | via CMAUP database |
| Sabinene hydrate isomer | 67159878 | Click to see | 154.25 | unknown | via CMAUP database |
| trans-Sabinenehydrate | 6431628 | Click to see CC(C)C12CCC(C1C2)(C)O | 154.25 | unknown | via CMAUP database |
| Verbenol | 61126 | Click to see | 152.23 | unknown | via CMAUP database |
| Verbenol, (S)-cis- | 87839 | Click to see | 152.23 | unknown | via CMAUP database |
| Verbenone, (+)- | 65724 | Click to see CC1=CC(=O)C2CC1C2(C)C | 150.22 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids | |||||
| (-)-cis-Carveol | 330573 | Click to see CC1=CCC(CC1O)C(=C)C | 152.23 | unknown | via CMAUP database |
| (-)-Pulegone | 638012 | Click to see CC1CCC(=C(C)C)C(=O)C1 | 152.23 | unknown | via CMAUP database |
| (-)-Terpinen-4-ol | 5325830 | Click to see CC1=CCC(CC1)(C(C)C)O | 154.25 | unknown | via CMAUP database |
| (-)-trans-Carveol | 94221 | Click to see CC1=CCC(CC1O)C(=C)C | 152.23 | unknown | https://doi.org/10.1080/10412905.1992.9698137 |
| (+-)-Piperitone | 6987 | Click to see | 152.23 | unknown | via CMAUP database |
| (+)-alpha-Phellandrene | 443160 | Click to see | 136.23 | unknown | via CMAUP database |
| (+)-cis-Carveol | 443177 | Click to see CC1=CCC(CC1O)C(=C)C | 152.23 | unknown | via CMAUP database |
| (+)-Limonene | 440917 | Click to see | 136.23 | unknown | https://doi.org/10.1021/JF049033E |
| (+)-Piperitone | 61362 | Click to see | 152.23 | unknown | via CMAUP database |
| (+)-Terpinen-4-ol | 2724161 | Click to see CC1=CCC(CC1)(C(C)C)O | 154.25 | unknown | via CMAUP database |
| (1R,2R,5S)-2-methyl-5-propan-2-ylcyclohex-3-ene-1,2-diol | 100616623 | Click to see CC(C)C1CC(C(C=C1)(C)O)O | 170.25 | unknown | https://doi.org/10.4067/S0717-97072011000300008 |
| (1R,4R,5R)-2-methyl-5-propan-2-ylcyclohex-2-ene-1,4-diol | 124355567 | Click to see | 170.25 | unknown | https://doi.org/10.4067/S0717-97072011000300008 |
| (1S,2S,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,4-triol | 162829292 | Click to see CC(C)C1CC(C(CC1O)(C)O)O | 188.26 | unknown | https://doi.org/10.4067/S0717-97072011000300008 |
| (3r,4r,6s)-3,6-Dihydroxy-1-menthene | 10374851 | Click to see | 170.25 | unknown | https://doi.org/10.4067/S0717-97072011000300008 |
| (4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one | 15939501 | Click to see CC1=CC(C(CC1=O)C(C)C)O | 168.23 | unknown | https://doi.org/10.4067/S0717-97072011000300008 |
| (4R,5S)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one | 44234541 | Click to see | 168.23 | unknown | https://doi.org/10.4067/S0717-97072011000300008 |
| (4S,6S)-4-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one | 130858490 | Click to see | 168.23 | unknown | https://doi.org/10.4067/S0717-97072011000300008 |
| 1-Methyl-4-((hydroxymethyl)vinyl)-cyclohex-1-ene | 11019061 | Click to see CC1=CCC(CC1)C(=C)CO | 152.23 | unknown | via CMAUP database |
| 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans- | 12618691 | Click to see | 152.23 | unknown | via CMAUP database |
| 2-Cyclohexen-1-one, 4-hydroxy-3-methyl-6-(1-methylethyl)- | 566981 | Click to see CC1=CC(=O)C(CC1O)C(C)C | 168.23 | unknown | https://doi.org/10.4067/S0717-97072011000300008 |
| 2-Cyclohexen-1-one, 4-hydroxy-3-methyl-6-(1-methylethyl)-, trans- | 22215384 | Click to see CC1=CC(=O)C(CC1O)C(C)C | 168.23 | unknown | https://doi.org/10.4067/S0717-97072011000300008 |
| 2-Methyl-5-(propan-2-yl)cyclohex-2-en-1-one | 521267 | Click to see | 152.23 | unknown | https://doi.org/10.1016/J.JPBA.2006.01.024 |
| 2-Methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol | 73001227 | Click to see | 204.26 | unknown | https://doi.org/10.4067/S0717-97072011000300008 |
| 3-Hydroxy-p-menth-1-en-6-one | 14106048 | Click to see CC1=CC(C(CC1=O)C(C)C)O | 168.23 | unknown | https://doi.org/10.4067/S0717-97072011000300008 |
| 4-Hydroxy-6-isopropyl-3-methyl-2-cyclohexen-1-one | 91701091 | Click to see | 168.23 | unknown | https://doi.org/10.4067/S0717-97072011000300008 |
| 4-Methyl-beta-methylenecyclohex-3-ene-1-ethanol | 527143 | Click to see CC1=CCC(CC1)C(=C)CO | 152.23 | unknown | via CMAUP database |
| 4-Terpineol, (+/-)- | 11230 | Click to see CC1=CCC(CC1)(C(C)C)O | 154.25 | unknown | https://doi.org/10.1080/10412905.1992.9698137 |
| 5-Isopropyl-2-methylcyclohex-2-ene-1,4-diol | 13919076 | Click to see CC1=CC(C(CC1O)C(C)C)O | 170.25 | unknown | https://doi.org/10.4067/S0717-97072011000300008 |
| 5-p-Menthene-1,2-diol | 14736609 | Click to see | 170.25 | unknown | https://doi.org/10.4067/S0717-97072011000300008 |
| 6beta-Hydroxypiperitone | 45096419 | Click to see CC1=CC(=O)C(CC1O)C(C)C | 168.23 | unknown | https://doi.org/10.4067/S0717-97072011000300008 |
| alpha-PHELLANDRENE | 7460 | Click to see CC1=CCC(C=C1)C(C)C | 136.23 | unknown |
https://doi.org/10.1080/10412905.1994.9698394 https://doi.org/10.1080/10412905.1993.9698207 https://doi.org/10.1080/10412905.1992.9698137 https://doi.org/10.1016/S0305-1978(96)00106-8 https://doi.org/10.1055/S-2006-962632 |
| Alpha-Terpinene | 7462 | Click to see | 136.23 | unknown | via CMAUP database |
| Beta-Phellandrene | 11142 | Click to see CC(C)C1CCC(=C)C=C1 | 136.23 | unknown | https://doi.org/10.1016/S0305-1978(96)00106-8 |
| Carveol | 7438 | Click to see | 152.23 | unknown | https://doi.org/10.1080/10412905.1992.9698137 |
| Carvone, (-)- | 439570 | Click to see | 150.22 | unknown | via CMAUP database |
| Carvone, (+-)- | 7439 | Click to see | 150.22 | unknown | https://doi.org/10.1080/10412905.1992.9698137 |
| Carvone, (+)- | 16724 | Click to see CC1=CCC(CC1=O)C(=C)C | 150.22 | unknown | https://doi.org/10.1080/10412905.1992.9698137 |
| cis-5-Hydroxy-p-menth-1(6)-en-2-one | 6429208 | Click to see | 168.23 | unknown | https://doi.org/10.4067/S0717-97072011000300008 |
| l-Piperitone | 107561 | Click to see CC1=CC(=O)C(CC1)C(C)C | 152.23 | unknown | via CMAUP database |
| Limonene, (-)- | 439250 | Click to see | 136.23 | unknown | https://doi.org/10.1021/JF049033E |
| Limonene, (+/-)- | 22311 | Click to see CC1=CCC(CC1)C(=C)C | 136.23 | unknown |
https://doi.org/10.1055/S-2006-962632 https://doi.org/10.1016/S0305-1978(96)00106-8 https://doi.org/10.1016/J.ARABJC.2010.11.006 https://doi.org/10.1080/10412905.1992.9698137 https://doi.org/10.1079/9781845934057.0227 https://doi.org/10.1055/S-2000-9773 https://doi.org/10.1080/10412905.1993.9698207 https://doi.org/10.1080/10412905.1994.9698394 |
| p-Menth-1-ene | 21671 | Click to see | 138.25 | unknown | https://doi.org/10.1016/J.JPBA.2006.01.024 |
| p-Menth-4(8)-en-3-one | 6988 | Click to see CC1CCC(=C(C)C)C(=O)C1 | 152.23 | unknown | via CMAUP database |
| p-Menth-6-en-2-ol, (2S,4S)-(+)- | 534485 | Click to see | 154.25 | unknown | https://doi.org/10.1016/J.JPBA.2006.01.024 |
| Piperitenone | 381152 | Click to see | 150.22 | unknown | https://doi.org/10.1080/10412905.1994.9698394 |
| Pulegone | 442495 | Click to see CC1CCC(=C(C)C)C(=O)C1 | 152.23 | unknown | via CMAUP database |
| Rel-(1r,2s,3r,4r,6s)p-menthane-1,2,3,6-tetrol | 11542987 | Click to see | 204.26 | unknown | https://doi.org/10.4067/S0717-97072011000300008 |
| Terpinolene | 11463 | Click to see | 136.23 | unknown | https://doi.org/10.1080/10412905.1994.9698394 |
| trans-1-Methyl-4-(1-methylvinyl)cyclohex-2-en-1-ol | 155626 | Click to see | 152.23 | unknown | via CMAUP database |
| trans-5-Hydroxy-p-menth-1(6)-en-2-one | 6429209 | Click to see | 168.23 | unknown | https://doi.org/10.4067/S0717-97072011000300008 |
| > Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin E compounds / Tocotrienols | |||||
| Gamma-Tocotrienol | 5282349 | Click to see | 410.60 | unknown | https://doi.org/10.1079/9781845934057.0227 |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids | |||||
| (-)-Isocaryophyllene | 5281522 | Click to see | 204.35 | unknown | via CMAUP database |
| (+)-beta-Caryophyllene | 20831623 | Click to see | 204.35 | unknown | via CMAUP database |
| (+)-Gamma-cadinene | 6432404 | Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C | 204.35 | unknown | via CMAUP database |
| (+)-Nerolidol | 5356544 | Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C | 222.37 | unknown | via CMAUP database |
| (+)(-)-(E)-beta-caryophyllene | 14757966 | Click to see CC1(CC2C1CCC(=C)CCCC2=C)C | 204.35 | unknown | via CMAUP database |
| (3R,6E)-Nerolidol | 11241545 | Click to see | 222.37 | unknown | via CMAUP database |
| (3S,6E)-Nerolidol | 5281525 | Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C | 222.37 | unknown | via CMAUP database |
| (4Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene | 5322111 | Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C | 204.35 | unknown | via CMAUP database |
| (R)-3-Methylene-6-((S)-1,2,2-trimethylcyclopentyl)cyclohex-1-ene | 25202927 | Click to see CC1(CCCC1(C)C2CCC(=C)C=C2)C | 204.35 | unknown | via CMAUP database |
| (Z)-caryophyllene | 6429301 | Click to see | 204.35 | unknown | via CMAUP database |
| 1-epi-Bicyclosesquiphellandrene | 521496 | Click to see | 204.35 | unknown | via CMAUP database |
| 1-Methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene | 403919 | Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C | 204.35 | unknown | via CMAUP database |
| 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl- | 8888 | Click to see | 222.37 | unknown | via CMAUP database |
| 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3R,6Z)- | 12227246 | Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C | 222.37 | unknown | via CMAUP database |
| 3a(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-6,8a-dimethyl-3-(1-methylethyl)-, [3R-(3alpha,3aalpha,8aalpha)]- | 6432448 | Click to see | 222.37 | unknown | via CMAUP database |
| 3aalpha(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-3alpha-isopropyl-6,8aalpha-dimethyl-, (+)- | 287687 | Click to see | 222.37 | unknown | via CMAUP database |
| 4-Isopropenyl-5-methyl-2-(1-methylethylidene)-5-vinylcyclohexanone | 519762 | Click to see CC(=C1CC(C(CC1=O)(C)C=C)C(=C)C)C | 218.33 | unknown | via CMAUP database |
| 4,11,11-Trimethyl-8-methylene-5-oxatricyclo(8.2.0.0(4,6))dodecane, (1R,4R,6R,10S)- | 6604672 | Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C | 220.35 | unknown | via CMAUP database |
| 4,12,12-Trimethyl-9-methylene-5-oxatricyclo(8.2.0.04,6)dodecane | 14350 | Click to see | 220.35 | unknown | via CMAUP database |
| 6,10,14-Trimethylpentadecan-2-one | 10408 | Click to see CC(C)CCCC(C)CCCC(C)CCCC(=O)C | 268.50 | unknown | via CMAUP database |
| 7,11-Dimethyl-3-methylene-1,6,10-dodecatriene | 10407 | Click to see | 204.35 | unknown | via CMAUP database |
| beta-(Z)-Elemenone | 22211636 | Click to see | 218.33 | unknown | via CMAUP database |
| Beta-Bisabolene | 10104370 | Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C | 204.35 | unknown | via CMAUP database |
| beta-Elemenone | 10955018 | Click to see | 218.33 | unknown | via CMAUP database |
| beta-Farnesene | 5281517 | Click to see CC(=CCCC(=CCCC(=C)C=C)C)C | 204.35 | unknown | via CMAUP database |
| beta-Farnesene, (6Z)- | 5317319 | Click to see CC(=CCCC(=CCCC(=C)C=C)C)C | 204.35 | unknown | via CMAUP database |
| Carotol | 442347 | Click to see | 222.37 | unknown | via CMAUP database |
| Caryophyllene | 5281515 | Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C | 204.35 | unknown | via CMAUP database |
| Caryophyllene,alpha + beta mixt. | 5354499 | Click to see | 204.35 | unknown | via CMAUP database |
| cis-Nerolidol | 5320128 | Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C | 222.37 | unknown | via CMAUP database |
| gamma-Bisabolene, (Z)- | 3033866 | Click to see CC1=CCC(=C(C)CCC=C(C)C)CC1 | 204.35 | unknown | via CMAUP database |
| Humulene | 5281520 | Click to see | 204.35 | unknown | https://doi.org/10.1007/BF02860485 |
| Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)- | 12306059 | Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C | 204.35 | unknown | via CMAUP database |
| Nerolidol | 5284507 | Click to see | 222.37 | unknown | via CMAUP database |
| Npc91574 | 12306054 | Click to see | 204.35 | unknown | via CMAUP database |
| trans-Muurola-4(14),5-diene | 91747125 | Click to see CC1CCC(C2=CC(=C)CCC12)C(C)C | 204.35 | unknown | via CMAUP database |
| trans,trans-Farnesyl acetate | 638500 | Click to see | 264.40 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Agarofurans | |||||
| [(1R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methanol | 5316435 | Click to see | 236.35 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids | |||||
| (1aR,4R,4aR,7R,7aS,7bS)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol | 91746597 | Click to see | 222.37 | unknown | via CMAUP database |
| (1aS,4S,4aS,7S,7aR,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol | 12304982 | Click to see | 222.37 | unknown | via CMAUP database |
| Globulol | 12304985 | Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O | 222.37 | unknown | via CMAUP database |
| Npc123229 | 6432543 | Click to see | 222.37 | unknown | via CMAUP database |
| Npc239037 | 101716 | Click to see | 222.37 | unknown | via CMAUP database |
| Viridiflorol | 11996452 | Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O | 222.37 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Cedrane and isocedrane sesquiterpenoids | |||||
| Cedrol | 65575 | Click to see | 222.37 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids | |||||
| 2-(4a-Methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)propan-2-ol | 521215 | Click to see | 222.37 | unknown | via CMAUP database |
| Beta-Eudesmol | 91457 | Click to see | 222.37 | unknown | via CMAUP database |
| Npc53720 | 6432456 | Click to see | 222.37 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids | |||||
| (+)-Germacrene D | 24771782 | Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C | 204.35 | unknown | via CMAUP database |
| (1E)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene | 74764030 | Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C | 204.35 | unknown | via CMAUP database |
| (1Z)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene | 92003564 | Click to see | 204.35 | unknown | via CMAUP database |
| (6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene | 49796490 | Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C | 204.35 | unknown | via CMAUP database |
| 1-Hydroxy-1,7-dimethyl-4-isopropyl-2,7-cyclodecadiene | 5367550 | Click to see | 222.37 | unknown | via CMAUP database |
| 1-Methyl-5-methylene-8-(1-methylethyl)-1,6-cyclodecadiene | 6436582 | Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C | 204.35 | unknown | via CMAUP database |
| 1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)- | 5373727 | Click to see | 204.35 | unknown | via CMAUP database |
| Germacrene D | 5317570 | Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C | 204.35 | unknown | via CMAUP database |
| germacrene D-4-ol | 5352847 | Click to see CC1=CCCC(C=CC(CC1)C(C)C)(C)O | 222.37 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides | |||||
| (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,4R,6R)-4-hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl]oxy]oxane-3,4,5-triol | 10783914 | Click to see | 348.39 | unknown | https://doi.org/10.1248/CPB.44.337 |
| (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,4R,6R)-6-hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl]oxy]oxane-3,4,5-triol | 10712710 | Click to see | 348.39 | unknown | https://doi.org/10.1248/CPB.44.337 |
| (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,4S,6R)-4-hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl]oxy]oxane-3,4,5-triol | 10831566 | Click to see CC1(C2(CCC(O1)(C(C2)OC3C(C(C(C(O3)CO)O)O)O)C)O)C | 348.39 | unknown | https://doi.org/10.1248/CPB.44.337 |
| (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,4S,6S)-4-hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl]oxy]oxane-3,4,5-triol | 10569725 | Click to see CC1(C2(CCC(O1)(C(C2)OC3C(C(C(C(O3)CO)O)O)O)C)O)C | 348.39 | unknown | https://doi.org/10.1248/CPB.44.337 |
| 1,8-Epoxy-p-menthan-4-ol glucoside | 85266295 | Click to see | 332.39 | unknown | https://doi.org/10.1248/CPB.44.337 |
| Foeniculoside V | 73657190 | Click to see CC1(C2(CCC(O1)(C(C2)OC3C(C(C(C(O3)CO)O)O)O)C)O)C | 348.39 | unknown |
https://doi.org/10.1248/CPB.44.337 https://doi.org/10.1248/CPB.46.1738 |
| Foeniculoside VII | 73657191 | Click to see | 348.39 | unknown |
https://doi.org/10.1248/CPB.44.337 https://doi.org/10.1248/CPB.46.1738 |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides | |||||
| [(1S,4aR,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 6325178 | Click to see CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)OC)O | 524.50 | unknown | via CMAUP database |
| methyl (1S,4aS,5S,7aS)-7-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate | 145874216 | Click to see | 550.50 | unknown | https://doi.org/10.1248/CPB.43.868 |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins | |||||
| (2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy-4-hydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid | 101941091 | Click to see | 1457.60 | unknown | via CMAUP database |
| (2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid | 101990870 | Click to see CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)C)OC4C(C(C(CO4)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)OC(=O)C67CCC(CC6C8=CCC9C(C8(CC7)CO)(CCC1C9(CC(C(C1(C)C(=O)O)OC1C(C(C(C(O1)CO)O)O)O)O)C)C)(C)C)C)OC(=O)C=CC1=CC=C(C=C1)OC)O)O)O | 1573.70 | unknown | via CMAUP database |
| E-senegasaponin a | 71627223 | Click to see | 1559.60 | unknown | via CMAUP database |
| E-senegasaponin b | 70697808 | Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)CO)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)C)OC(=O)C=CC9=CC=C(C=C9)OC)O)O)O)OC1C(C(C(CO1)OC1C(C(C(C(O1)CO)O)O)O)O)O | 1427.50 | unknown | via CMAUP database |
| Onjisaponin A | 21669941 | Click to see | 1705.80 | unknown | via CMAUP database |
| Senegin II | 11953920 | Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)CO)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)C)OC(=O)C=CC9=CC(=C(C=C9)OC)OC)O)O)O)OC1C(C(C(CO1)OC1C(C(C(C(O1)CO)O)O)O)O)O | 1457.60 | unknown | via CMAUP database |
| Senegin III | 21669942 | Click to see | 1573.70 | unknown | via CMAUP database |
| Z-senegasaponin a | 86289100 | Click to see CC1C(C(C(C(O1)OC(=O)C23CCC(CC2C4=CCC5C(C4(CC3)CO)(CCC6C5(CC(C(C6(C)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)(C)C)OC8C(C(C(C(O8)C)OC9C(C(C(CO9)OC1C(C(C(C(O1)CO)O)O)O)O)O)OC1C(C(CO1)(CO)O)O)O)O)OC(=O)C=CC1=CC=C(C=C1)OC | 1559.60 | unknown | via CMAUP database |
| Z-senegasaponin b | 70697802 | Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)CO)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)C)OC(=O)C=CC9=CC=C(C=C9)OC)O)O)O)OC1C(C(C(CO1)OC1C(C(C(C(O1)CO)O)O)O)O)O | 1427.50 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene lactones | |||||
| [5-ethenyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl] (2E,6Z)-8-hydroxy-2,6-dimethylocta-2,6-dienoate | 5317365 | Click to see | 540.60 | unknown | via CMAUP database |
| 7-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}-2H-chromen-2-one | 5287282 | Click to see CC(=CCCC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C)C | 366.50 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Triterpenoids | |||||
| (4aS,6aS,6aS,6bR,8aS,10S,12aR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | 51892422 | Click to see | 456.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 |
| 1,4a,6a,6b,9,9,12a-Heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-2-carboxylic acid | 3640008 | Click to see | 454.70 | unknown | https://doi.org/10.1248/CPB.43.868 |
| 3-Epioleanolic acid | 11869658 | Click to see | 456.70 | unknown | via CMAUP database |
| 3-Hydroxyolean-12-en-28-oic acid | 619166 | Click to see | 456.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 |
| Oleanolic Acid | 10494 | Click to see | 456.70 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 https://doi.org/10.1248/CPB.47.1448 |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids | |||||
| (22E,24S)-5alpha,8alpha-epidioxy-24-methylcholesta-6,22-dien-3beta-ol | 13830971 | Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C | 428.60 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 |
| 5-(5,6-Dimethylhept-3-en-2-yl)-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol | 633877 | Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C | 428.60 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives | |||||
| 17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol | 53461958 | Click to see | 416.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 |
| 7alpha-Hydroxycampesterol | 125143 | Click to see | 416.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 |
| 7beta-Hydroxycampesterol | 101112100 | Click to see | 416.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Estrane steroids / Estrogens and derivatives | |||||
| (13S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol | 16757678 | Click to see | 288.40 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Hydroxysteroids / 12-hydroxysteroids / 12-alpha-hydroxysteroids | |||||
| Polygalic acid | 12442765 | Click to see | 488.70 | unknown | via CMAUP database |
| Senegenin | 12442762 | Click to see | 537.10 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives | |||||
| (5S)-17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol | 16219965 | Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)C | 416.70 | unknown | via CMAUP database |
| 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | 86821 | Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | 414.70 | unknown | https://doi.org/10.1248/CPB.47.1448 |
| beta-Sitosterol 3-O-beta-D-galactopyranoside | 296119 | Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | 576.80 | unknown | https://doi.org/10.1248/CPB.47.1448 |
| Chondrillasterol | 5283663 | Click to see | 412.70 | unknown | via CMAUP database |
| Npc196776 | 50930798 | Click to see | 410.70 | unknown | via CMAUP database |
| Sitogluside | 5742590 | Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | 576.80 | unknown | https://doi.org/10.1248/CPB.47.1448 |
| Stigmast-5-en-3-ol | 22012 | Click to see | 414.70 | unknown | https://doi.org/10.1248/CPB.47.1448 |
| Stigmasterol | 5280794 | Click to see | 412.70 | unknown |
https://doi.org/10.1248/CPB.47.1448 https://doi.org/10.1079/9781845934057.0227 |
| Stigmasterol Glucoside | 6602508 | Click to see | 574.80 | unknown | https://doi.org/10.1248/CPB.47.1448 |
| > Nucleosides, nucleotides, and analogues / Purine nucleosides | |||||
| Adenosine | 60961 | Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N | 267.24 | unknown | https://doi.org/10.1248/CPB.47.988 |
| > Nucleosides, nucleotides, and analogues / Purine nucleosides / Purine 2-deoxyribonucleosides | |||||
| Deoxyadenosine | 13730 | Click to see | 251.24 | unknown | https://doi.org/10.1248/CPB.47.988 |
| > Nucleosides, nucleotides, and analogues / Pyrimidine nucleosides | |||||
| Uridine | 6029 | Click to see | 244.20 | unknown | https://doi.org/10.1248/CPB.47.988 |
| > Nucleosides, nucleotides, and analogues / Pyrimidine nucleosides / Pyrimidine 2-deoxyribonucleosides | |||||
| Thymidine | 5789 | Click to see CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O | 242.23 | unknown | https://doi.org/10.1248/CPB.47.988 |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives | |||||
| (1S,4R,5R,9R,11S,14R,15S,19R)-5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-6,16-diene-2,8,12,18-tetrone | 163039822 | Click to see | 450.50 | unknown | https://doi.org/10.1248/CPB.44.337 |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Glutamic acid and derivatives | |||||
| CID 6037 | 6037 | Click to see C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N | 441.40 | unknown | via CMAUP database |
| > Organic acids and derivatives / Hydroxy acids and derivatives / Medium-chain hydroxy acids and derivatives | |||||
| (3R)-3-Hydroxydodecanoic acid | 5312804 | Click to see CCCCCCCCCC(CC(=O)O)O | 216.32 | unknown | via CMAUP database |
| 3-Hydroxydodecanoic acid | 94216 | Click to see CCCCCCCCCC(CC(=O)O)O | 216.32 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268697/ |
| 3-Hydroxydodecanoic acid, (3S)- | 5312805 | Click to see | 216.32 | unknown | via CMAUP database |
| > Organic nitrogen compounds / Organonitrogen compounds / Amines / Primary amines / 2-arylethylamines | |||||
| 2-(4-Fluoro-1H-imidazol-5-yl)ethylamine | 541569 | Click to see | 129.14 | unknown | via CMAUP database |
| > Organic nitrogen compounds / Organonitrogen compounds / Quaternary ammonium salts / Cholines | |||||
| Choline | 305 | Click to see | 104.17 | unknown | https://doi.org/10.1002/PTR.2650010211 |
| > Organic oxygen compounds / Organic oxides | |||||
| (2S)-2,4-dimethylpentanal | 60140939 | Click to see | 114.19 | unknown | via CMAUP database |
| 2,4-Dimethylpentanal | 34072 | Click to see | 114.19 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds | |||||
| 1-Methoxycyclohexene | 70264 | Click to see COC1=CCCCC1 | 112.17 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268697/ |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives | |||||
| (1R,3S,4S,5S)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid | 13520496 | Click to see | 516.40 | unknown | via CMAUP database |
| (1R,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid | 15901362 | Click to see | 368.30 | unknown | via CMAUP database |
| (1R,3S,4S,5S)-3-((E)-3-(3,4-Dihydroxyphenyl)Acryloyloxy)-1,4,5-Trihydroxycyclohexanecarboxylic Acid | 12310830 | Click to see | 354.31 | unknown | via CMAUP database |
| 1,4-Dicaffeylquinic acid | 5316647 | Click to see C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O | 516.40 | unknown | via CMAUP database |
| 1,5-Dicaffeoylquinic acid | 122685 | Click to see | 516.40 | unknown | via CMAUP database |
| 1,5-O-Trans-Dicaffeoylquinic Acid | 6474640 | Click to see | 516.40 | unknown | via CMAUP database |
| 3-O-Feruloylquinic acid | 9799386 | Click to see | 368.30 | unknown | via CMAUP database |
| 4-O-Feruloylquinic acid | 10177048 | Click to see | 368.30 | unknown | via CMAUP database |
| Chlorogenic Acid | 1794427 | Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O | 354.31 | unknown | https://doi.org/10.1021/JF000171N |
| CID 24720973 | 24720973 | 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)O)O | 516.40 | unknown | via CMAUP database |
| Cinnamic acid, 3,4-dihydroxy-, (-)-1-carboxy-3,4,5-trihydroxycyclohexyl ester | 6451212 | Click to see C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O | 354.31 | unknown | via CMAUP database |
| cis-Chlorogenic acid | 1794425 | Click to see | 354.31 | unknown | via CMAUP database |
| Cryptochlorogenic acid | 9798666 | Click to see | 354.31 | unknown | via CMAUP database |
| Cynarine | 5281769 | Click to see | 516.40 | unknown | via CMAUP database |
| Dicaffeoylquinic acid | 12358846 | Click to see | 516.40 | unknown | via CMAUP database |
| Neochlorogenic acid | 5280633 | Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O | 354.31 | unknown | via CMAUP database |
| Npc233393 | 10155076 | Click to see | 354.31 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Polyols / 1,2-diols | |||||
| (2R,3R,4S)-pentane-1,2,3,4-tetrol | 10796790 | Click to see CC(C(C(CO)O)O)O | 136.15 | unknown | https://doi.org/10.1248/CPB.47.988 |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols | |||||
| (S)-2-methyl-1-butanol | 2723602 | Click to see | 88.15 | unknown | https://doi.org/10.1248/CPB.46.1643 |
| Isoamyl alcohol | 31260 | Click to see CC(C)CCO | 88.15 | unknown | https://doi.org/10.1248/CPB.46.1643 |
| Prenol | 11173 | Click to see CC(=CCO)C | 86.13 | unknown | https://doi.org/10.1248/CPB.46.1643 |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols | |||||
| (1S)-cyclohex-2-en-1-ol | 5325854 | Click to see C1CC=CC(C1)O | 98.14 | unknown | via CMAUP database |
| (R)-butane-1,3-diol | 637497 | Click to see CC(CCO)O | 90.12 | unknown | via CMAUP database |
| (S)-butane-1,3-diol | 446973 | Click to see CC(CCO)O | 90.12 | unknown | via CMAUP database |
| (Z)-hex-3-ene-2,5-diol | 5356549 | Click to see CC(C=CC(C)O)O | 116.16 | unknown | via CMAUP database |
| 1-Deoxy-d-ribitol | 270738 | Click to see CC(C(C(CO)O)O)O | 136.15 | unknown | https://doi.org/10.1248/CPB.47.988 |
| 1-Deoxy-D-threitol | 6398419 | Click to see | 106.12 | unknown | https://doi.org/10.1248/CPB.47.988 |
| 1,3-Butanediol | 7896 | Click to see CC(CCO)O | 90.12 | unknown | via CMAUP database |
| 2-Cyclohexen-1-OL | 13198 | Click to see | 98.14 | unknown | via CMAUP database |
| 2-Cyclohexen-1-ol, (1R)- | 10486804 | Click to see C1CC=CC(C1)O | 98.14 | unknown | via CMAUP database |
| 2-Deoxy-D-ribitol | 10796791 | Click to see | 136.15 | unknown | https://doi.org/10.1248/CPB.47.988 |
| 3-Hexen-2,5-diol | 246990 | Click to see | 116.16 | unknown | via CMAUP database |
| 3-Hexene-2,5-diol | 5363299 | Click to see | 116.16 | unknown | via CMAUP database |
| 4-Methylbicyclo[3.1.1]hept-3-en-2-ol | 130142498 | Click to see CC1=CC(C2CC1C2)O | 124.18 | unknown | https://doi.org/10.1016/J.JPBA.2006.01.024 |
| Dicyclopropylmethanol | 84336 | Click to see | 112.17 | unknown | https://doi.org/10.1016/J.JPBA.2006.01.024 |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols / Cyclohexanols | |||||
| (1S,3R)-3-methylcyclohexan-1-ol | 229503 | Click to see CC1CCCC(C1)O | 114.19 | unknown | via CMAUP database |
| (1S,3S)-3-methylcyclohexan-1-ol | 642633 | Click to see CC1CCCC(C1)O | 114.19 | unknown | via CMAUP database |
| 3-Methylcyclohexanol | 11566 | Click to see | 114.19 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268697/ |
| 4-Ethylcyclohexanol | 78293 | Click to see CCC1CCC(CC1)O | 128.21 | unknown | via CMAUP database |
| cis-3-METHYLCYCLOHEXANOL | 21599 | Click to see | 114.19 | unknown | via CMAUP database |
| trans-3-Methylcyclohexanol | 641629 | Click to see CC1CCCC(C1)O | 114.19 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols | |||||
| 3,7-Dimethyl-7-octen-3-ol | 557859 | Click to see | 156.26 | unknown | via CMAUP database |
| Pinacol | 6425 | Click to see | 118.17 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268697/ |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Aminosaccharides / Aminoglycosides | |||||
| 2-[(4S,5S,6R,7R,9R,10R,11Z,13E,15S,16R)-6-[(2S,3S,4R,5R,6R)-5-[(2S,4R,5R,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde | 163020191 | Click to see | 869.10 | unknown | https://doi.org/10.1248/CPB.44.337 |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds | |||||
| (1R,4S,6R)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]oct-6-yl I(2)-D-glucopyranoside | 100917677 | Click to see CC1(C2CCC(O1)(C(C2)OC3C(C(C(C(O3)CO)O)O)O)C)C | 332.39 | unknown | https://doi.org/10.1248/CPB.44.337 |
| (1R,4S,6S,7R)-7-Hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-6-yl beta-D-glucopyranoside | 10760131 | Click to see CC1(C2CC(C(O1)(C(C2)OC3C(C(C(C(O3)CO)O)O)O)C)O)C | 348.39 | unknown | https://doi.org/10.1248/CPB.44.337 |
| (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside | 73815050 | Click to see CC1(C2CCC(O1)(C(C2)OC3C(C(C(C(O3)CO)O)O)O)C)C | 332.39 | unknown | https://doi.org/10.1248/CPB.44.337 |
| (1S,2S,4S)-1,8-Epoxy-p-menthane-2,7-diol 2-O-b-D-glucoside | 85170188 | Click to see | 348.39 | unknown | https://doi.org/10.1248/CPB.44.337 |
| (1S,4S,6S)-1-(Hydroxymethyl)-3,3-dimethyl-2-oxabicyclo[2.2.2]oct-6-yl beta-D-glucopyranoside | 10521670 | Click to see | 348.39 | unknown | https://doi.org/10.1248/CPB.44.337 |
| (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,4S,6S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl]oxy]oxane-3,4,5-triol | 10854025 | Click to see | 332.39 | unknown | https://doi.org/10.1248/CPB.44.337 |
| (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,4R,6R,7S)-7-hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl]oxy]oxane-3,4,5-triol | 10665390 | Click to see CC1(C2CC(C(O1)(C(C2)OC3C(C(C(C(O3)CO)O)O)O)C)O)C | 348.39 | unknown | https://doi.org/10.1248/CPB.44.337 |
| (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,4R,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl]oxy]oxane-3,4,5-triol | 21630950 | Click to see | 332.39 | unknown | https://doi.org/10.1248/CPB.44.337 |
| (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,4R,6S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl]oxy]oxane-3,4,5-triol | 21630948 | Click to see | 332.39 | unknown | https://doi.org/10.1248/CPB.44.337 |
| (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,4S,6R,8R)-8-hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl]oxy]oxane-3,4,5-triol | 10783915 | Click to see CC1(C2CC(C(O1)(CC2O)C)OC3C(C(C(C(O3)CO)O)O)O)C | 348.39 | unknown | https://doi.org/10.1248/CPB.44.337 |
| (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,4S,6S,8R)-8-hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl]oxy]oxane-3,4,5-triol | 10593828 | Click to see | 348.39 | unknown | https://doi.org/10.1248/CPB.44.337 |
| 2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol | 4984739 | Click to see | 270.28 | unknown | https://doi.org/10.1248/CPB.44.337 |
| 2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-phenylmethoxyoxane-3,4,5-triol | 14079044 | Click to see C1C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)(CO)O | 402.40 | unknown | https://doi.org/10.1248/CPB.44.337 |
| 2-Hydroxybenzyl beta-d-glucopyranoside | 9943752 | Click to see C1=CC=C(C(=C1)COC2C(C(C(C(O2)CO)O)O)O)O | 286.28 | unknown | https://doi.org/10.1248/CPB.44.337 |
| 2-phenylethyl beta-D-glucopyranoside | 468284 | Click to see | 284.30 | unknown | https://doi.org/10.1248/CPB.44.337 |
| 4-Methoxybenzyl beta-D-glucopyranoside | 10685601 | Click to see | 300.30 | unknown | https://doi.org/10.1248/CPB.44.337 |
| Benzyl b-sophoropyranoside | 73157713 | Click to see | 432.40 | unknown | https://doi.org/10.1248/CPB.44.337 |
| Benzyl beta-d-glucopyranoside | 188977 | Click to see | 270.28 | unknown | https://doi.org/10.1248/CPB.44.337 |
| Benzyl-beta-d-glucopyranoside | 13254166 | Click to see | 270.28 | unknown | https://doi.org/10.1248/CPB.46.1587 |
| Foeniculoside IX | 73657189 | Click to see | 348.39 | unknown |
https://doi.org/10.1248/CPB.44.337 https://doi.org/10.1248/CPB.46.1738 |
| Foeniculoside VIII | 73657192 | Click to see | 348.39 | unknown |
https://doi.org/10.1248/CPB.44.337 https://doi.org/10.1248/CPB.46.1738 |
| Icariside F2 | 14079045 | Click to see C1C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)(CO)O | 402.40 | unknown | https://doi.org/10.1248/CPB.44.337 |
| Isosalicin | 12304407 | Click to see | 286.28 | unknown |
https://doi.org/10.1248/CPB.46.1587 https://doi.org/10.1248/CPB.44.337 |
| Phenylethyl beta-D-glucopyranoside | 11289099 | Click to see C1=CC=C(C=C1)CCOC2C(C(C(C(O2)CO)O)O)O | 284.30 | unknown | https://doi.org/10.1248/CPB.44.337 |
| Sucrose | 5988 | Click to see | 342.30 | unknown | https://doi.org/10.1248/CPB.47.988 |
| Zizybeoside I | 11972301 | Click to see C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O | 432.40 | unknown |
https://doi.org/10.1248/CPB.44.337 https://doi.org/10.1248/CPB.46.1587 |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides | |||||
| (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(2S)-2-hydroxypropyl]phenoxy]oxane-3,4,5-triol | 163082766 | Click to see CC(CC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)O | 314.33 | unknown | https://doi.org/10.1248/CPB.44.337 |
| (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-methoxyprop-1-enyl]phenoxy]oxane-3,4,5-triol | 10758476 | Click to see | 326.34 | unknown | https://doi.org/10.1248/CPB.44.337 |
| (2S,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol | 154497544 | Click to see COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO | 372.40 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 |
| 1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3'-O-b-D-glucoside | 85207142 | Click to see | 346.33 | unknown | https://doi.org/10.1248/CPB.44.337 |
| 2-(3-Hydroxy-2-methoxy-5-prop-2-enylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol | 131751300 | Click to see | 342.34 | unknown | https://doi.org/10.1248/CPB.44.337 |
| 2-(Hydroxymethyl)-6-[4-(2-hydroxypropyl)phenoxy]oxane-3,4,5-triol | 85232549 | Click to see CC(CC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)O | 314.33 | unknown | https://doi.org/10.1248/CPB.44.337 |
| 2-(Hydroxymethyl)-6-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]oxane-3,4,5-triol | 323959 | Click to see | 372.40 | unknown |
https://doi.org/10.1248/CPB.44.337 https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 |
| 2-(Hydroxymethyl)-6-[4-(3-methoxyprop-1-enyl)phenoxy]oxane-3,4,5-triol | 85257886 | Click to see | 326.34 | unknown | https://doi.org/10.1248/CPB.44.337 |
| 2-(Hydroxymethyl)-6-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]oxane-3,4,5-triol | 13965334 | Click to see COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)CO | 346.33 | unknown | https://doi.org/10.1248/CPB.44.337 |
| 2-[2,6-Dimethoxy-4-(3-methoxyprop-1-enyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 163087111 | Click to see | 386.40 | unknown | https://doi.org/10.1248/CPB.44.337 |
| 2,6-Dimethoxy-4-((1E)-3-methoxy-1-propen-1-yl)phenyl beta-D-glucopyranoside | 15108321 | Click to see | 386.40 | unknown | https://doi.org/10.1248/CPB.44.337 |
| 5-[(1R)-1,2-Dihydroxyethyl]-2-methoxyphenyl I(2)-D-glucopyranoside | 10617551 | Click to see | 346.33 | unknown | https://doi.org/10.1248/CPB.44.337 |
| CID 101702475 | 101702475 | Click to see | 342.34 | unknown | https://doi.org/10.1248/CPB.44.337 |
| Cnidioside A | 21592256 | Click to see C1=COC2=CC(=C(C=C21)CCC(=O)O)OC3C(C(C(C(O3)CO)O)O)O | 368.30 | unknown | https://doi.org/10.1248/CPB.47.1448 |
| Di-O-Methylcrenatin | 10736338 | Click to see | 346.33 | unknown | https://doi.org/10.1248/CPB.44.337 |
| Syringin | 5316860 | Click to see | 372.40 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 https://doi.org/10.1248/CPB.46.1587 https://doi.org/10.1248/CPB.44.337 |
| Syringin methyl ether | 131752679 | Click to see | 386.40 | unknown | https://doi.org/10.1248/CPB.46.1587 |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides | |||||
| (2R,3S,4S,5R)-2-(hydroxymethyl)oxane-3,4,5-triol | 12905135 | Click to see C1C(C(C(C(O1)CO)O)O)O | 164.16 | unknown | via CMAUP database |
| 1,5-Anhydroglucitol | 64960 | Click to see | 164.16 | unknown | via CMAUP database |
| D-(-)-Fructose | 5984 | Click to see | 180.16 | unknown | https://doi.org/10.1248/CPB.47.988 |
| D-Fructose | 2723872 | Click to see C1C(C(C(C(O1)(CO)O)O)O)O | 180.16 | unknown | https://doi.org/10.1248/CPB.47.988 |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Heptoses | |||||
| D-manno-2-heptulose | 102926 | Click to see C(C(C(C(C(C(=O)CO)O)O)O)O)O | 210.18 | unknown | via CMAUP database |
| Mannoheptulose | 12600 | Click to see | 210.18 | unknown | https://doi.org/10.1016/J.JPBA.2006.01.024 |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses | |||||
| 1-Deoxy-D-glucitol | 10678630 | Click to see | 166.17 | unknown | https://doi.org/10.1248/CPB.47.988 |
| D-Glucose | 5793 | Click to see C(C1C(C(C(C(O1)O)O)O)O)O | 180.16 | unknown | https://doi.org/10.1248/CPB.47.988 |
| D(+)-Glucose | 107526 | Click to see C(C(C(C(C(C=O)O)O)O)O)O | 180.16 | unknown | https://doi.org/10.1248/CPB.47.988 |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides | |||||
| [(2S,3S,4R,5R)-2-[(2R,3R,4R,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 10374132 | Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)COC(=O)C)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC(=C(C=C6)O)OC)O)O)O)OC7C(C(C(C(O7)CO)O)O)O | 1207.10 | unknown | via CMAUP database |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 10034247 | Click to see | 1165.10 | unknown | via CMAUP database |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate | 11818844 | Click to see | 1297.20 | unknown | via CMAUP database |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 10351465 | Click to see | 1297.20 | unknown | via CMAUP database |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate | 10374233 | Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC=C(C=C6)O)COC(=O)C)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O)O)OC8C(C(C(C(O8)CO)O)O)O | 1339.20 | unknown | via CMAUP database |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate | 10260886 | Click to see | 1339.20 | unknown | via CMAUP database |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 10464150 | Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC(=C(C=C6)O)OC)COC(=O)C)OC(=O)C=CC7=CC=C(C=C7)O)O)O)OC8C(C(C(C(O8)CO)O)O)O | 1339.20 | unknown | via CMAUP database |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate | 10057265 | Click to see | 1339.20 | unknown | via CMAUP database |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 10351366 | Click to see | 1207.10 | unknown | via CMAUP database |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 10079963 | Click to see | 1165.10 | unknown | via CMAUP database |
| Senegose A | 44566678 | Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC(=C(C=C6)O)OC)COC(=O)C)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O)O)OC8C(C(C(C(O8)CO)O)O)O | 1369.20 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar alcohols | |||||
| D-Threitol | 169019 | Click to see C(C(C(CO)O)O)O | 122.12 | unknown | https://doi.org/10.1248/CPB.47.988 |
| Erythritol | 222285 | Click to see | 122.12 | unknown | https://doi.org/10.1248/CPB.47.988 |
| Glycerin | 753 | Click to see C(C(CO)O)O | 92.09 | unknown | https://doi.org/10.1248/CPB.47.988 |
| Mannitol | 6251 | Click to see | 182.17 | unknown | https://doi.org/10.1248/CPB.47.988 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes | |||||
| 3-(Methylthio)propionaldehyde | 18635 | Click to see CSCCC=O | 104.17 | unknown | https://doi.org/10.1021/JF050340+ |
| 3-Methylbutanal | 11552 | Click to see | 86.13 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes | |||||
| (Z)-2-hexenal | 6428782 | Click to see CCCC=CC=O | 98.14 | unknown | via CMAUP database |
| 2,4-Undecadienal | 5367531 | Click to see | 166.26 | unknown | via CMAUP database |
| cis-3-Hexenal | 643941 | Click to see CCC=CCC=O | 98.14 | unknown | via CMAUP database |
| Hexanal | 6184 | Click to see | 100.16 | unknown | via CMAUP database |
| trans-2-Hexenal | 5281168 | Click to see | 98.14 | unknown | via CMAUP database |
| Undecanal | 8186 | Click to see CCCCCCCCCCC=O | 170.29 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated aldehydes / Enals | |||||
| 2-Ethyl-but-2-enal | 29773 | Click to see | 98.14 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268697/ |
| 2-Ethylcrotonaldehyde | 5362897 | Click to see CCC(=CC)C=O | 98.14 | unknown | via CMAUP database |
| 2-Methyl-2-pentenal | 5319754 | Click to see CCC=C(C)C=O | 98.14 | unknown | via CMAUP database |
| 2-Methyl-2-pentenal | 12177 | Click to see | 98.14 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268697/ |
| 4,4-Dimethylpent-2-enal | 5362894 | Click to see CC(C)(C)C=CC=O | 112.17 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones | |||||
| 6,6,7-Trimethyl-3-octyne-2,5-dione | 538570 | Click to see | 180.24 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones | |||||
| (E)-hex-3-ene-2,5-dione | 5363639 | Click to see | 112.13 | unknown | via CMAUP database |
| (Z)-3-hexen-2-one | 6430723 | Click to see CCC=CC(=O)C | 98.14 | unknown | via CMAUP database |
| 3-Hexen-2-one | 5367744 | Click to see | 98.14 | unknown | via CMAUP database |
| 3-Hexene-2,5-dione | 13177 | Click to see | 112.13 | unknown | via CMAUP database |
| 3-Hexene-2,5-dione, (Z)- | 5354485 | Click to see | 112.13 | unknown | via CMAUP database |
| 3,3,6-Trimethylhepta-1,5-dien-4-one | 68346 | Click to see CC(=CC(=O)C(C)(C)C=C)C | 152.23 | unknown | via CMAUP database |
| Hexen-2-al | 12990 | Click to see | 98.14 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268697/ |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones | |||||
| (R)-2-methoxycyclohexanone | 6951549 | Click to see | 128.17 | unknown | via CMAUP database |
| (S)-2-Methoxycyclohexanone | 642158 | Click to see COC1CCCCC1=O | 128.17 | unknown | via CMAUP database |
| 2-Methoxycyclohexanone | 110998 | Click to see | 128.17 | unknown | https://doi.org/10.1016/J.JPBA.2006.01.024 |
| 3-Methyl-2-cyclopenten-1-one | 17691 | Click to see CC1=CC(=O)CC1 | 96.13 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268697/ |
| Cyclotene | 6660 | Click to see CC1=C(C(=O)CC1)O | 112.13 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones | |||||
| 4-Isopropyl-2-cyclohexen-1-one, (R)-(-)- | 642520 | Click to see | 138.21 | unknown | via CMAUP database |
| 4-Isopropyl-2-cyclohexenone | 92780 | Click to see CC(C)C1CCC(=O)C=C1 | 138.21 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones | |||||
| 2-Heptanone | 8051 | Click to see | 114.19 | unknown | via CMAUP database |
| 3-Oxobutan-1-olate | 53630514 | Click to see | 86.09 | unknown | via CMAUP database |
| Nonacosan-10-one | 441490 | Click to see | 422.80 | unknown | https://doi.org/10.1016/S0305-1978(96)00106-8 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones | |||||
| 3'-Methoxypropiophenone | 584765 | Click to see | 164.20 | unknown | https://doi.org/10.1016/J.JPBA.2006.01.024 |
| 4-Propanoylanisole | 67144 | Click to see | 164.20 | unknown | https://doi.org/10.1021/JF050340+ |
| 4'-Methoxyacetophenone | 7476 | Click to see CC(=O)C1=CC=C(C=C1)OC | 150.17 | unknown | https://doi.org/10.1016/J.JPBA.2006.01.024 |
| > Organic oxygen compounds / Organooxygen compounds / Enols | |||||
| Hepta-1,3-dien-1-ol | 73607705 | Click to see CCCC=CC=CO | 112.17 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268697/ |
| Tridecenol | 20397979 | Click to see CCCCCCCCCCCC=CO | 198.34 | unknown | https://doi.org/10.1089/JMF.2008.0327 |
| > Organoheterocyclic compounds / Azoles / Imidazoles | |||||
| 4-Fluorohistamine | 68584299 | Click to see | 129.14 | unknown | https://doi.org/10.1016/J.JPBA.2006.01.024 |
| > Organoheterocyclic compounds / Benzodioxoles | |||||
| Apiole | 10659 | Click to see | 222.24 | unknown | via CMAUP database |
| Dillapiol | 10231 | Click to see COC1=C(C2=C(C=C1CC=C)OCO2)OC | 222.24 | unknown |
https://doi.org/10.1007/BF02976556 https://doi.org/10.1089/JMF.2008.0327 |
| Myristicin | 4276 | Click to see | 192.21 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Benzofurans / Benzofuranones | |||||
| (3S)-5-hydroxy-3-[(3R)-3-hydroxybutyl]-3H-2-benzofuran-1-one | 162975897 | Click to see CC(CCC1C2=C(C=CC(=C2)O)C(=O)O1)O | 222.24 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 |
| (3S)-5-hydroxy-3-propyl-3H-2-benzofuran-1-one | 163042664 | Click to see | 192.21 | unknown | https://doi.org/10.1021/JF0713253 |
| (3S)-5-methoxy-3-propyl-3H-2-benzofuran-1-one | 162994615 | Click to see | 206.24 | unknown | https://doi.org/10.1021/JF0713253 |
| 5-hydroxy-3-propyl-3H-2-benzofuran-1-one | 85745418 | Click to see | 192.21 | unknown | https://doi.org/10.1021/JF0713253 |
| 5-methoxy-3-propyl-3H-2-benzofuran-1-one | 85745415 | Click to see CCCC1C2=C(C=CC(=C2)OC)C(=O)O1 | 206.24 | unknown | https://doi.org/10.1021/JF0713253 |
| > Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthones | |||||
| Gentisin | 5281636 | Click to see COC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O | 258.23 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Benzothiazoles | |||||
| Benzothiazole | 7222 | Click to see C1=CC=C2C(=C1)N=CS2 | 135.19 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Pyrimidones | |||||
| Uracil | 1174 | Click to see | 112.09 | unknown | https://doi.org/10.1248/CPB.47.988 |
| > Organoheterocyclic compounds / Epoxides | |||||
| 1,2-Epoxyhexadecane | 23741 | Click to see CCCCCCCCCCCCCCC1CO1 | 240.42 | unknown | https://doi.org/10.1016/J.JPBA.2006.01.024 |
| > Organoheterocyclic compounds / Heteroaromatic compounds | |||||
| Perillene | 68316 | Click to see | 150.22 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Isobenzofurans | |||||
| 3-N-Butyl-4,5-dihydrophthalide | 173843 | Click to see CCCCC1C2=C(C=CCC2)C(=O)O1 | 192.25 | unknown | via CMAUP database |
| 3-N-butyl-4,5-dihydrophthalide, (S)- | 3085257 | Click to see | 192.25 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Lactones / Gamma butyrolactones | |||||
| Dehydroascorbic Acid | 440667 | Click to see | 174.11 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Oxanes | |||||
| (1S,2S,4S,5R)-1,8-Epoxy-p-menthane-2,5-diol | 85195105 | Click to see | 186.25 | unknown | https://doi.org/10.1248/CPB.44.337 |
| (1S,4S,5R,7R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-5,7-diol | 10797641 | Click to see | 186.25 | unknown | https://doi.org/10.1248/CPB.44.337 |
| (1S,4S,5R,7S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-5,7-diol | 10583714 | Click to see CC1(C2CC(C(O1)(CC2O)C)O)C | 186.25 | unknown | https://doi.org/10.1248/CPB.44.337 |
| 1,8-Cineole | 2758 | Click to see | 154.25 | unknown | via CMAUP database |
| Epomediol | 115056 | Click to see | 186.25 | unknown | https://doi.org/10.1248/CPB.44.337 |
| > Organoheterocyclic compounds / Oxepanes | |||||
| (-)-Kessane | 91749835 | Click to see CC1CCC2C1CC3CC2(OC3(C)C)C | 208.34 | unknown | via CMAUP database |
| (+)-trans-Limonene oxide | 449290 | Click to see CC(=C)C1CCC2(C(C1)O2)C | 152.23 | unknown | via CMAUP database |
| (1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane | 6857487 | Click to see CC(=C)C1CCC2(C(C1)O2)C | 152.23 | unknown | via CMAUP database |
| 7-Oxabicyclo4.1.0heptan-2-one, 6-methyl-3-(1-methylethylidene)- | 61942 | Click to see | 166.22 | unknown | https://doi.org/10.1080/10412905.1994.9698394 |
| Kessane | 11310616 | Click to see | 222.37 | unknown | via CMAUP database |
| Limonene oxide, trans-(-)- | 8029780 | Click to see | 152.23 | unknown | via CMAUP database |
| Piperitone oxide, (1S,2S,4S)- | 6430796 | Click to see CC(C)C1CCC2(C(C1=O)O2)C | 168.23 | unknown | via CMAUP database |
| Rotundifolone | 442497 | Click to see CC(=C1CCC2(C(C1=O)O2)C)C | 166.22 | unknown |
https://doi.org/10.1016/S0305-1978(96)00106-8 https://doi.org/10.1080/10412905.1994.9698394 |
| trans-Limonen oxide | 6429145 | Click to see CC(C)C1CCC2(C(C1)O2)C | 154.25 | unknown | https://doi.org/10.1089/JMF.2008.0327 |
| > Organoheterocyclic compounds / Pteridines and derivatives / Pterins and derivatives / Folic acids and derivatives / Folic acids | |||||
| 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid | 3405 | Click to see | 441.40 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids | |||||
| (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-hydroxy-5-[(2R,3S)-6-hydroxy-4-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]phenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol | 162831676 | Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=C6C(C(OC6=CC(=C5)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)OC9C(C(C(C(O9)COC1C(C(C(C(O1)CO)O)O)O)O)O)O)O)O | 1005.00 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 |
| (2S,3R,4S,5S,6R)-2-[[(2R,3R)-3-(3,5-dihydroxyphenyl)-4-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 10010748 | Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=C6C(C(OC6=CC(=C5)OC7C(C(C(C(O7)CO)O)O)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O | 842.80 | unknown | https://doi.org/10.1248/CPB.43.868 |
| (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(2R,3R)-2-(4-hydroxyphenyl)-4-[(2S,3S)-2-(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydro-1-benzofuran-3-yl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydro-1-benzofuran-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 10374085 | Click to see | 1167.10 | unknown | https://doi.org/10.1248/CPB.43.868 |
| (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(2R,3R)-4-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydro-1-benzofuran-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 10441022 | Click to see | 1005.00 | unknown | https://doi.org/10.1248/CPB.43.868 |
| (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(2R,3R)-6-hydroxy-4-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 9988103 | Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=C6C(C(OC6=CC(=C5)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)OC9C(C(C(C(O9)CO)O)O)O)O)O | 842.80 | unknown | https://doi.org/10.1248/CPB.43.868 |
| (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(2S,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(2R,3R)-2-(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydro-1-benzofuran-3-yl]-2,3-dihydro-1-benzofuran-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 154496577 | Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)C6=C7C(C(OC7=CC(=C6)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)OC1C(C(C(C(O1)CO)O)O)O)O)O | 1005.00 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 |
| 2-[3-hydroxy-5-[4-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydro-1-benzofuran-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 131753167 | Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=C6C(C(OC6=CC(=C5)OC7C(C(C(C(O7)CO)O)O)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)OC1C(C(C(C(O1)CO)O)O)O)O)O | 1005.00 | unknown | https://doi.org/10.1248/CPB.43.868 |
| 2-[3-Hydroxy-5-[6-hydroxy-4-[6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 85084613 | Click to see | 842.80 | unknown | https://doi.org/10.1248/CPB.43.868 |
| 5-[(2S,3R)-6-hydroxy-4-[(2R,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol | 160649591 | Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=C6C(C(OC6=CC(=C5)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O | 680.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 |
| 5-[6-Hydroxy-4-[6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol | 366355 | Click to see | 680.70 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 https://doi.org/10.1248/CPB.43.868 |
| beta-D-Glucopyranoside, (2S,2'R,3S,3'R)-3'-(3,5-dihydroxyphenyl)-2,2',3,3'-tetrahydro-6-hydroxy-2,2'-bis(4-hydroxyphenyl)-4-[(1Z)-2-(4-hydroxyphenyl)ethenyl][3,4'-bibenzofuran]-6'-yl | 85091809 | Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=C6C(C(OC6=CC(=C5)OC7C(C(C(C(O7)CO)O)O)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O | 842.80 | unknown | https://doi.org/10.1248/CPB.43.868 |
| beta-D-Glucopyranoside, (2S,2'R,3S,3'R)-3'-[3-(beta-D-glucopyranosyloxy)-5-hydroxyphenyl]-2,2',3,3'-tetrahydro-2,2'-bis(4-hydroxyphenyl)-4-[(1Z)-2-(4-hydroxyphenyl)ethenyl][3,4'-bibenzofuran]-6,6'-diyl bis- | 85125539 | Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)C6=C7C(C(OC7=CC(=C6)OC8C(C(C(C(O8)CO)O)O)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)OC1C(C(C(C(O1)CO)O)O)O)O)O | 1167.10 | unknown | https://doi.org/10.1248/CPB.43.868 |
| cis-Miyabenol C | 14412022 | Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=C6C(C(OC6=CC(=C5)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O | 680.70 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 https://doi.org/10.1248/CPB.43.868 |
| Foeniculoside IV | 131752778 | Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)C6=C7C(C(OC7=CC(=C6)OC8C(C(C(C(O8)CO)O)O)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)OC1C(C(C(C(O1)CO)O)O)O)O)O | 1167.10 | unknown | https://doi.org/10.1248/CPB.43.868 |
| I(2)-D-Glucopyranoside, (2S,2a(2)R,3S,3a(2)R)-3a(2)-[3-(I(2)-D-glucopyranosyloxy)-5-hydroxyphenyl]-2,2a(2),3,3a(2)-tetrahydro-6-hydroxy-2,2a(2)-bis(4-hydroxyphenyl)-4-[(1Z)-2-(4-hydroxyphenyl)ethenyl][3,4a(2)-bibenzofuran]-6a(2)-yl | 85144230 | Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=C6C(C(OC6=CC(=C5)OC7C(C(C(C(O7)CO)O)O)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)OC1C(C(C(C(O1)CO)O)O)O)O)O | 1005.00 | unknown | https://doi.org/10.1248/CPB.43.868 |
| Miyabenol C | 5388319 | Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=C6C(C(OC6=CC(=C5)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O | 680.70 | unknown | https://doi.org/10.1248/CPB.43.868 |
| Miyabenol C | 6475924 | Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=C6C(C(OC6=CC(=C5)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O | 680.70 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 https://doi.org/10.1248/CPB.43.868 |
| > Phenylpropanoids and polyketides / Cinnamaldehydes | |||||
| Dillapional | 5458880 | Click to see | 236.22 | unknown | https://doi.org/10.1007/BF02976556 |
| > Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acids | |||||
| 4-Coumarate | 54708745 | Click to see C1=CC(=CC=C1C=CC(=O)O)[O-] | 163.15 | unknown | via CMAUP database |
| Cinnamic acid | 444539 | Click to see C1=CC=C(C=C1)C=CC(=O)O | 148.16 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives | |||||
| (S)-Rosmarinic acid | 639655 | Click to see | 360.30 | unknown | via CMAUP database |
| Rosmarinate | 5315615 | Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O | 360.30 | unknown | via CMAUP database |
| Rosmarinic Acid | 5281792 | Click to see | 360.30 | unknown | via CMAUP database |
| Sinapine | 5280385 | Click to see C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC | 310.36 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids | |||||
| 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid | 2518 | Click to see | 180.16 | unknown | https://doi.org/10.1021/JF0713253 |
| Caffeic Acid | 689043 | Click to see | 180.16 | unknown | https://doi.org/10.1021/JF0713253 |
| Ferulic Acid | 445858 | Click to see | 194.18 | unknown | via CMAUP database |
| O-Coumaric Acid | 637540 | Click to see | 164.16 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Cinnamyl alcohols | |||||
| 1-Dideuterio-3-phenylprop-2-en-1-ol | 10534709 | Click to see | 136.19 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Coumarin glycosides | |||||
| Esculin | 5281417 | Click to see C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O | 340.28 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens | |||||
| Imperatorin | 10212 | Click to see | 270.28 | unknown |
https://doi.org/10.1007/BF02976556 https://doi.org/10.1211/0022357991777218 |
| Psoralen | 6199 | Click to see | 186.16 | unknown |
https://doi.org/10.1007/BF02976556 https://doi.org/10.1016/S0031-9422(00)81503-4 |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 5-methoxypsoralens | |||||
| Bergapten | 2355 | Click to see COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 | 216.19 | unknown |
https://doi.org/10.1007/BF02976556 https://doi.org/10.1211/0022357991777218 https://doi.org/10.1021/JF0713253 |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 8-hydroxypsoralens | |||||
| Xanthotoxol | 65090 | Click to see C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O | 202.16 | unknown | https://doi.org/10.1211/0022357991777218 |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins | |||||
| 7-Hydroxy(~2~H_5_)-2H-1-benzopyran-2-one | 45358955 | Click to see | 167.17 | unknown | via CMAUP database |
| Scopoletin | 5280460 | Click to see | 192.17 | unknown | https://doi.org/10.1007/BF02976556 |
| Umbelliferone | 5281426 | Click to see C1=CC(=CC2=C1C=CC(=O)O2)O | 162.14 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Pyranocoumarins / Angular pyranocoumarins | |||||
| Seselin | 68229 | Click to see | 228.24 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Diarylheptanoids / Cyclic diarylheptanoids / Meta,meta-bridged biphenyls | |||||
| (7R)-3,7-dihydroxy-15,16,17-trimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one | 163189539 | Click to see | 386.40 | unknown | https://doi.org/10.1248/CPB.44.337 |
| > Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids | |||||
| 5,7-Dihydroxy-8-[2-hydroxy-5-(7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one | 5321275 | Click to see COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C=C3)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O | 536.50 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones | |||||
| (+-)-Naringenin | 932 | Click to see | 272.25 | unknown | via CMAUP database |
| (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one | 667495 | Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O | 272.25 | unknown | via CMAUP database |
| Naringenin | 439246 | Click to see | 272.25 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavones | |||||
| Apigenin | 5280443 | Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O | 270.24 | unknown | https://doi.org/10.1016/S0308-8146(00)00091-1 |
| Luteolin | 5280445 | Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O | 286.24 | unknown | https://doi.org/10.1016/S0308-8146(00)00091-1 |
| > Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols | |||||
| Isorhamnetin | 5281654 | Click to see | 316.26 | unknown | via CMAUP database |
| Kaempferol | 5280863 | Click to see | 286.24 | unknown | via CMAUP database |
| Myricetin | 5281672 | Click to see C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O | 318.23 | unknown | https://doi.org/10.1016/S0308-8146(00)00091-1 |
| Quercetin | 5280343 | Click to see | 302.23 | unknown |
https://doi.org/10.1211/0022357991777218 https://doi.org/10.1016/S0308-8146(00)00091-1 |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-3-O-glucuronides | |||||
| (2S,3S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 44259219 | Click to see | 478.40 | unknown |
https://doi.org/10.3390/70200245 https://doi.org/10.1021/JF000171N |
| (2S,3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 44258914 | Click to see | 462.40 | unknown | via CMAUP database |
| 6-(2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxochromen-3-Yl)Oxy-3,4,5-Trihydroxyoxane-2-Carboxylic Acid | 12004528 | Click to see | 478.40 | unknown | https://doi.org/10.3390/70200245 |
| Kaempferol 3-O-glucuronide | 5318759 | Click to see | 462.40 | unknown | via CMAUP database |
| Kaempferol-3-glucuronide | 22846027 | Click to see | 462.40 | unknown | via CMAUP database |
| Nelumboside | 11968794 | Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O | 640.50 | unknown | via CMAUP database |
| Npc154172 | 13258914 | Click to see | 478.40 | unknown | via CMAUP database |
| Querciturone | 5274585 | Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O | 478.40 | unknown | https://doi.org/10.3390/70200245 |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-7-O-glucuronides | |||||
| (2S,3S,4S,5R,6S)-3,5-dihydroxy-6-[6-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4-methyloxane-2-carboxylic acid | 92131275 | Click to see | 444.40 | unknown | via CMAUP database |
| Luteolin 7-glucuronide | 5280601 | Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O | 462.40 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides | |||||
| [2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-6-methyloxan-4-yl] 3-(4-hydroxyphenyl)prop-2-enoate | 74978082 | Click to see | 724.70 | unknown | https://doi.org/10.3390/70200245 |
| 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one | 51402807 | Click to see | 464.40 | unknown | https://doi.org/10.3390/70200245 |
| 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-(3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxychromen-4-One | 5378597 | Click to see | 464.40 | unknown | https://doi.org/10.3390/70200245 |
| 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one | 5317847 | Click to see | 434.30 | unknown | via CMAUP database |
| 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one | 44259215 | Click to see | 434.30 | unknown | https://doi.org/10.1016/S0021-9673(01)97853-7 |
| 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-deoxyhexopyranoside | 5353915 | Click to see | 448.40 | unknown | https://doi.org/10.3390/70200245 |
| 3-{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one | 5748554 | Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O | 418.30 | unknown | via CMAUP database |
| 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one | 45933931 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O | 624.50 | unknown | via CMAUP database |
| 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | 71463991 | Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O | 478.40 | unknown | via CMAUP database |
| 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-D-mannopyranosyl)-beta-D-glucopyranoside | 17751019 | Click to see | 624.50 | unknown | via CMAUP database |
| 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3-(3,4,5-Trihydroxy-6-((3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxymethyl)Oxan-2-Yl)Oxychromen-4-One | 12313332 | Click to see | 594.50 | unknown | via CMAUP database |
| 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one | 20055286 | Click to see | 594.50 | unknown | via CMAUP database |
| 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one | 24211973 | Click to see | 594.50 | unknown | via CMAUP database |
| acs.jmedchem.1c00409_ST.657 | 5878729 | Click to see | 434.30 | unknown | https://doi.org/10.1248/YAKUSHI1947.79.7_986 |
| Afzelin | 5316673 | Click to see | 432.40 | unknown | https://doi.org/10.3390/70200245 |
| Astragalin | 5282102 | Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O | 448.40 | unknown | via CMAUP database |
| Avicularin | 5490064 | Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)O | 434.30 | unknown | https://doi.org/10.1016/S0031-9422(00)94055-X |
| Guaijaverin | 5481224 | Click to see | 434.30 | unknown |
https://doi.org/10.1016/S0021-9673(01)97853-7 https://doi.org/10.1248/YAKUSHI1947.79.7_986 |
| Hyperasid | 90657624 | Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)[O-] | 463.40 | unknown | via CMAUP database |
| Hyperoside | 5281643 | Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | 464.40 | unknown | via CMAUP database |
| Isoquercetin | 5280804 | Click to see | 464.40 | unknown | https://doi.org/10.3390/70200245 |
| Isorhamnetin 3-galactoside | 13245586 | Click to see | 478.40 | unknown | https://doi.org/10.3390/70200245 |
| Isorhamnetin 3-O-glucoside | 5318645 | Click to see | 478.40 | unknown | https://doi.org/10.3390/70200245 |
| Kaempferol 3-alpha-L-arabinopyranoside | 5481882 | Click to see | 418.30 | unknown | via CMAUP database |
| Kaempferol-3-O-Rutinoside | 5318767 | Click to see | 594.50 | unknown | via CMAUP database |
| Narcissin | 5481663 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O | 624.50 | unknown | via CMAUP database |
| Npc318533 | 5835713 | Click to see | 432.40 | unknown | https://doi.org/10.3390/70200245 |
| Platanoside | 6451113 | Click to see | 724.70 | unknown | https://doi.org/10.3390/70200245 |
| Quercitrin | 5280459 | Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O | 448.40 | unknown | https://doi.org/10.3390/70200245 |
| Rutin | 5280805 | Click to see | 610.50 | unknown | https://doi.org/10.3390/70200245 |
| Vitamin P | 5293655 | Click to see | 610.50 | unknown | https://doi.org/10.3390/70200245 |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides | |||||
| 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxy-2,3-dihydrochromen-4-one | 13872461 | Click to see | 596.50 | unknown | via CMAUP database |
| 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one | 53486247 | Click to see | 596.50 | unknown | via CMAUP database |
| 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[(2S,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one | 24211951 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O | 596.50 | unknown | via CMAUP database |
| 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one | 42607972 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O | 596.50 | unknown | via CMAUP database |
| Eriocitrin | 83489 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O | 596.50 | unknown | via CMAUP database |
| Eriocitrin [M+H]+ | 3564542 | Click to see | 596.50 | unknown | via CMAUP database |
| Linarin | 5317025 | Click to see | 592.50 | unknown | via CMAUP database |
| Narirutin | 442431 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O | 580.50 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 4-O-methylated flavonoids | |||||
| Acacetin | 5280442 | Click to see | 284.26 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Stilbenes / Stilbene glycosides | |||||
| 2-[3-Hydroxy-5-[2-(4-hydroxyphenyl)vinyl]phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol | 393787 | Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O | 390.40 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 |
| Polydatin | 5281718 | Click to see | 390.40 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 |
| > Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins | |||||
| Glucosyringic acid | 10383888 | Click to see | 360.31 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2007.03.029 |
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