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

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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

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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

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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

Subspecies (abbr. subsp./ssp.) Top

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Varieties (abbr. var.) Top

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No variety added yet.

Subvarieties (abbr. subvar.) Top

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No subvariety added yet.

Forms (abbr. f.) Top

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No forms added yet.

Germination/Propagation Top

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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.
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.
Title Authors Publication Released IDs
Study of medicinal plants used in ethnoveterinary medical system in riverine areas of Punjab, Pakistan Umair M, Altaf M, Ahsan T, Bussmann RW, Abbasi AM, Gatasheh MK, Elrobh M J Ethnobiol Ethnomed 07-May-2024
PMCID:PMC11077875
doi:10.1186/s13002-024-00686-9
PMID:38715115
Repellent activity of essential oils to the Lone Star tick, Amblyomma americanum Le Mauff A, Norris EJ, Li AY, Swale DR Parasit Vectors 06-May-2024
PMCID:PMC11073969
doi:10.1186/s13071-024-06246-0
PMID:38711138
Chemical composition and biological activities of essential oils of seven Cultivated Apiaceae species Önder S, Periz ÇD, Ulusoy S, Erbaş S, Önder D, Tonguç M Sci Rep 02-May-2024
PMCID:PMC11066118
doi:10.1038/s41598-024-60810-3
PMID:38698117
Designing combinational herbal drugs based on target space analysis Woyessa AM, Bultum LE, Lee D BMC Complement Med Ther 01-May-2024
PMCID:PMC11064244
doi:10.1186/s12906-024-04455-9
PMID:38693521
The protective effects of some herbs on mitigating HFD-induced obesity via enhancing biochemical indicators and fertility in female rats Abdoon AS, Hegazy AM, Abdel-Azeem AS, Al-Atrash AM, Mohammed DM Heliyon 01-May-2024
PMCID:PMC11078881
doi:10.1016/j.heliyon.2024.e30249
PMID:38726161
Insect floral visitors of thermo-Mediterranean shrubland maquis (Ajaccio, Corsica, France) Maestracci PY, Plume L, Gibernau M Biodivers Data J 25-Apr-2024
PMCID:PMC11079593
doi:10.3897/BDJ.12.e118614
PMID:38726024
Effect of Maternal Flavour Conditioning Combined with Organic and Inorganic Iron-Supplemented Creep Feed on Piglet Performance and Haemoglobin Status Kristen R, Bathgate R, Cronin GM, Hall E, Possell M, O’Shea CJ Animals (Basel) 23-Apr-2024
PMCID:PMC11082972
doi:10.3390/ani14091263
PMID:38731271
Investigating foliar application of bulk and nanoparticles titanium dioxide on fennel productivity to mitigate the negative effects of saline irrigation water Ahmed AM, Khalid KA, Zaki FS BMC Plant Biol 23-Apr-2024
PMCID:PMC11036655
doi:10.1186/s12870-024-04996-8
PMID:38654169
Salicylic Acid and Water Stress: Effects on Morphophysiology and Essential Oil Profile of Eryngium foetidum dos Santos SK, Gomes DD, Soares VD, Dantas EF, de Oliveira AF, Gusmão MH, de Matos EM, Souza T, Viccini LF, Grazul RM, Henschel JM, Batista DS Metabolites 21-Apr-2024
PMCID:PMC11052287
doi:10.3390/metabo14040241
PMID:38668369
Mitigating digestive disorders: Action mechanisms of Mediterranean herbal active compounds Kmail A Open Life Sci 18-Apr-2024
PMCID:PMC11032100
doi:10.1515/biol-2022-0857
Sandalwood Oils of Different Origins Are Active In Vitro against Madurella mycetomatis, the Major Fungal Pathogen Responsible for Eumycetoma Abd Algaffar SO, Seegers S, Satyal P, Setzer WN, Schmidt TJ, Khalid SA Molecules 18-Apr-2024
PMCID:PMC11055130
doi:10.3390/molecules29081846
PMID:38675665
Role of nutraceutical against exposure to pesticide residues: power of bioactive compounds Sajad M, Shabir S, Singh SK, Bhardwaj R, Alsanie WF, Alamri AS, Alhomrani M, Alsharif A, Vamanu E, Singh MP Front Nutr 17-Apr-2024
PMCID:PMC11061536
doi:10.3389/fnut.2024.1342881
PMID:38694227
Petroselinum crispum L., essential oil as promising source of bioactive compounds, antioxidant, antimicrobial activities: In vitro and in silico predictions Nouioura G, El fadili M, El Hachlafi N, Abuelizz HA, Elidrissi AE, Ferioun M, Soulo N, Er-rahmani S, Lyoussi B, Derwich E Heliyon 16-Apr-2024
PMCID:PMC11040043
doi:10.1016/j.heliyon.2024.e29520
PMID:38660278
Ethnobotanical survey on herbal remedies for the management of type 2 diabetes in the Casablanca-Settat region, Morocco Arraji M, Al Wachami N, Boumendil K, Chebabe M, Mochhoury L, Laamiri FZ, Barkaoui M, Chahboune M BMC Complement Med Ther 15-Apr-2024
PMCID:PMC11017650
doi:10.1186/s12906-024-04468-4
PMID:38622669
The Repellent Capacity against Sitophilus zeamais (Coleoptera: Curculionidae) and In Vitro Inhibition of the Acetylcholinesterase Enzyme of 11 Essential Oils from Six Plants of the Caribbean Region of Colombia Muñoz-Acevedo A, González MC, Alonso JE, Flórez KC Molecules 12-Apr-2024
PMCID:PMC11051817
doi:10.3390/molecules29081753
PMID:38675573

Phytochemical Profile Top

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Below are displayed the proven (via scientific papers) natural compounds!
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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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