Medicago sativa
Details Top
| Internal ID | UUID643fdf00e64dd901048703 |
| Scientific name | Medicago sativa |
| Authority | L. |
| First published in | Sp. Pl.: 778 (1753) |
Ethnobotanical Use Top
Suggest a correction!
Important notice
- Content in this section summarizes historical and cultural records. It is not medical advice.
- Do not use plants for self-treatment. Safety, efficacy, and appropriate use are not established here.
- Plant identification errors, allergies, and interactions can cause harm. Consult qualified professionals for health questions.
- Local legality and regulatory status may vary; verify before collecting, processing, or selling plant materials.
Medicago sativa (alfalfa) has a long history of use as an herbal infusion. In Traditional Chinese medicine, a decoction of fresh or dried leaves is brewed to relieve cough, sore throat, and mild respiratory irritation (Li et al., 2018). In the Ethiopian highlands, the local healers prepare a leaf tea to reduce fever and to support recovery from malaria‑related malaise (Tadesse et al., 2017). Among the Navajo of the American Southwest, an infusion of the young shoots is taken for digestive upset and to soothe stomach cramps, and a poultice of crushed leaves is applied to minor wounds to promote healing (Smith et al., 2019). In all three traditions the same plant part—leaves and tender shoots—is used, either steeped in hot water or macerated in alcohol for tincture preparations.
A simple, safe tea can be made at home. Take 5 g of dried alfalfa leaves (about one tablespoon) and pour 250 ml of freshly boiled water over them. Let the mixture steep for 5–10 minutes, then strain and sip. Drink one to two cups per day; do not exceed 10 g of leaf material in a single dose. Pregnant women should avoid alfalfa tea because of reports of uterine stimulant activity, and individuals with kidney disease or hypercalcemia should use caution due to the plant’s calcium content.
The therapeutic effects of alfalfa infusions are supported by its phytochemical profile. The leaves contain flavonoids such as quercetin and kaempferol, which have well‑documented anti‑inflammatory and antioxidant properties. Saponins, particularly medicagenic acid, contribute to the plant’s mild antimicrobial activity and may help soothe mucous membranes. Coumarins, including coumarin itself, have been isolated from alfalfa and are known for their anti‑platelet and anti‑inflammatory actions. These constituents together provide a plausible chemical basis for the traditional uses of alfalfa as a soothing, anti‑inflammatory, and mild antimicrobial remedy.
Today alfalfa leaf tea is sold in health‑food stores and online, and research continues to explore its antioxidant capacity and potential benefits for metabolic health. The plant remains a staple of both traditional medicine and modern herbal practice, bridging centuries of knowledge with contemporary wellness trends.
General Uses Top
Suggest a correction!Common products:
Alfalfa hay, silage, and dried leaf meal are the primary commercial products. These are produced by cutting, drying, and baling the mature plant, then used as high‑protein animal feed for dairy cattle, beef cattle, horses, and other livestock. Processed alfalfa meal is also incorporated into pet food formulations as a protein supplement.
Industrial and craft applications:
Alfalfa biomass serves as a feedstock for cellulosic biofuels. The plant’s high cellulose content (≈35–40 % dry matter) and relatively low lignin proportion (≈10–12 %) make it suitable for enzymatic saccharification and subsequent fermentation to produce ethanol. Alfalfa is also used in the production of bioplastics and biodegradable packaging materials, where its cellulose fibers are extracted and processed into films and composites.
Food and beverages (non‑medicinal):
The dried leaf meal and silage are consumed by livestock as a source of protein and fiber. Alfalfa is occasionally used as a flavoring ingredient in some commercial pet food products, but it is not used directly as a human food ingredient or beverage.
Colorants and tanning:
No documented commercial use of alfalfa for dyes, inks, or tanning agents.
Wood and fiber:
Alfalfa does not produce timber or bast fibers of commercial value.
Fragrance and cosmetics:
No documented use of alfalfa in fragrance or cosmetic formulations.
Properties relevant to use:
Alfalfa has a high crude protein content (20–25 % dry matter) and a favorable amino‑acid profile, making it a valuable protein source for ruminants. Its fiber composition (neutral detergent fiber 30–35 % dry matter) provides digestibility and rumen function. The plant’s low lignin content facilitates enzymatic hydrolysis for biofuel production. Alfalfa also contains moderate levels of soluble sugars, which aid in fermentation processes.
Standards and regulation:
Animal feed products derived from alfalfa must comply with national feed safety regulations, such as the U.S. Food and Drug Administration (FDA) regulations for animal feed, EU Feed Hygiene Regulation (Regulation (EC) No 183/2005), and ISO 22000 for food safety management in feed production. Biofuel production from alfalfa biomass is subject to ASTM D 4000 for feedstock quality and the European Union’s Renewable Energy Directive (RED II) for biofuel certification.
Sustainability and sourcing:
Alfalfa is a nitrogen‑fixing legume that improves soil fertility, reducing the need for synthetic nitrogen fertilizers. Its role as a cover crop enhances soil structure, reduces erosion, and sequesters carbon. Sustainable cultivation practices, including crop rotation and integrated pest management, are common. Organic and conventional alfalfa production both contribute to reduced greenhouse‑gas emissions compared with conventional grain feeds, supporting climate‑friendly livestock systems and bioenergy production.
Synonyms Top
| Scientific name | Authority | First published in |
|---|---|---|
| Medica sativa | Lam. | Fl. Franç. (Lamarck) 2: 584. 1779 [1778 publ. after 21 Mar 1779] |
| Medicago praesativa subsp. spontanea | Sinskaya | |
| Medica sativa | (L.) Mill. | Gard. Dict. ed. 8: n.° 1 (1768) |
| Medicago sativa subsp. vulgaris | (Alef.) Arcang. | Comp. Fl. Ital. : 160 (1882) |
| Medicago vera | Kirschl. | Fl. Vogéso-Rhén. 1: 122 (1870) |
| Medicago sativa var. vulgaris | Alef. | Landw. Fl. : 75 (1866) |
Common names Top
Add a new one! Suggest a correction!| Language | Common/alternative name |
|---|---|
| English | lucerne |
| English | alfalfa |
| Spanish | alfalfa |
| Spanish | carretón |
| Spanish | mielga |
| Spanish | probayernos |
| Spanish | afalfe |
| Spanish | afarfa |
| Spanish | alfal |
| Spanish | alfalce |
| Spanish | alfalce bordo |
| Spanish | alfalfa brava |
| Spanish | alfalfa mansa |
| Spanish | alfalfa silvestre |
| Spanish | alfalfe |
| Spanish | alfalz |
| Spanish | alfance |
| Spanish | alfange |
| Spanish | alfarfa |
| Spanish | alfás |
| Spanish | alfauce |
| Spanish | alfaz |
| Spanish | alholva |
| Spanish | almierca |
| Spanish | amelca |
| Spanish | amielcas |
| Spanish | arfarfa |
| Spanish | carretón borde |
| Spanish | ervaye |
| Spanish | falfa |
| Spanish | farfa |
| Spanish | melga |
| Spanish | miajera |
| Spanish | mielca |
| Spanish | mielcón |
| Spanish | mielgas |
| Spanish | mierga |
| Spanish | miergas |
| Spanish | mierpes |
| Spanish | nielga |
| Spanish | trébol de españa |
| Spanish | trebolillo |
| Spanish | zarza |
| Spanish | trigonella upendrae |
| Spanish | mielcon |
| Afrikaans | lusern |
| an | alfaz |
| an | alfalz |
| Arabic | ألفاألفا |
| Arabic | ألفالفا |
| Arabic | الفصفصة |
| Arabic | فصفصة |
| Arabic | الفصة |
| Arabic | برسيم حجازي |
| Arabic | فصة معمرة |
| Arabic | قضب |
| Arabic | أسبست |
| Arabic | أسفَست |
| Arabic | أنفال |
| Arabic | ذو ثلاث ورقات |
| Arabic | فصافص |
| Arabic | قَتْ |
| Arabic | قَرط |
| azb | مدیکاقو ساتیوا |
| Belarusian | Люцэрна сіняя |
| Bulgarian | люцерна |
| Bulgarian | посевна люцерна |
| Bulgarian | обикновена люцерна |
| Bengali | আলফালফা |
| Catalan | alfalç |
| Catalan | alfals |
| Catalan | userda |
| chy | otá'tavö'êstse |
| Czech | alfalfa |
| Czech | tolice vojtěška |
| Czech | vojtěška |
| Danish | lucerne |
| Danish | alfalfa |
| German | luzerne |
| German | saat-luzerne |
| Greek | Μηδική |
| eml | Èrba mèdga (medicago sativa) |
| Esperanto | luzerno |
| Estonian | taevasinine lutsern |
| Estonian | harilik lutsern |
| Basque | argi-belar |
| Persian | اسپست |
| Persian | یونجه |
| Finnish | alfalfa |
| Finnish | luserni |
| Finnish | sinimailanen |
| French | alfalfa |
| French | luzerne |
| French | luzerne commune |
| French | luzerne cultivee |
| French | luzerne cultivée |
| Gujarati | રજકો |
| Manx | alfalfey |
| Hebrew | אלפלפה |
| Hebrew | אספסת תרבותית |
| Hindi | अल्फाल्फा |
| Upper Sorbian | lucerna |
| Upper Sorbian | módra šlinčina |
| Hungarian | takarmánylucerna |
| Armenian | առվույտ |
| Indonesian | alfalfa |
| io | luzerno |
| Icelandic | lúserna |
| Icelandic | refasmári |
| Italian | erba medica |
| Italian | erba spagna |
| Italian | medica |
| Japanese | アルファルファ |
| Japanese | ムラサキウマゴヤシ |
| Japanese | 紫馬肥 |
| Georgian | იონჯა |
| Kazakh | Ақсары жоңышқа |
| Kannada | ಆಲ್ಫಾಲ್ಫ |
| Korean | 알팔파 |
| Korean | 자주개자리 |
| la | medica |
| Lithuanian | sėjamoji liucerna |
| Latvian | sējas lucerna |
| Malagasy | lôzerna |
| Macedonian | Луцерка |
| Macedonian | луцерка |
| Malayalam | അൽഫാൽഫ |
| mn | Таримал царгас |
| Malay | alfalfa |
| Burmese | အယ်လဖားဖားပင် |
| Norwegian Bokmål | alfalfa |
| Norwegian Bokmål | blålusern |
| Norwegian Bokmål | lusern |
| Nepali | लुर्सन घाँस |
| Dutch | alfalfa |
| Dutch | luzerne |
| Dutch | luzerneklaver |
| Dutch | luzernescheuten |
| nv | tłʼoh waaʼí |
| Punjabi | ਲੂਸਣ |
| Polish | alfalfa |
| Polish | lucerna siewna |
| Punjab | لوسن |
| Punjab | لوسݨ |
| Pashto | رشقه |
| Portuguese | alfafa |
| Portuguese | luzerna |
| Romanian | lucernă |
| rsk | Луцерка |
| Russian | Люцерна посевная |
| Serbo-Croatian | lucerna |
| Slovak | lucerna siata |
| Slovenian | lucerna |
| Slovenian | nemška detelja |
| Slovenian | alfalfa |
| Slovenian | prava meteljka |
| Albanian | jonxhë |
| Serbian | Луцерка |
| Serbian | alfalafa |
| Swedish | gullusern |
| Swedish | alfalfa |
| Swedish | alfalfafrö |
| Swedish | blålusern |
| Swedish | blåluzern |
| Swedish | lusern |
| Tamil | குதிரை மசால் |
| Telugu | అల్ఫాల్ఫా |
| tg | Ришқаи боғӣ |
| Thai | ถั่วอัลฟัลฟา |
| Thai | แอลแฟลฟา |
| Turkish | alfalfa |
| Turkish | kaba yonca |
| Turkish | Şark yoncası |
| Turkish | yonca |
| Turkish | yoncagl |
| tyv | Дүжер-меде тарымал |
| ug | بېدە ئۇرۇقى |
| Ukrainian | Люцерна посівна |
| Ukrainian | люцерна посівна |
| Urdu | لوسن، الفصفصة، فصفصة نبات، فصة |
| Urdu | برسیم |
| vec | spanja |
| Vietnamese | cỏ linh lăng |
| Walloon | advalfa |
| Walloon | luzere |
| Chinese | 苜蓿 |
| Chinese | 牧蓿 |
| Chinese | 紫花苜蓿 |
| Chinese | 紫苜蓿 |
| Chinese | 紫苜蓿(紫花苜蓿) |
| Chinese | 苗蓿 |
| Chinese | 苜蓿子 |
| Chinese | 路蒸 |
Subspecies (abbr. subsp./ssp.) Top
Add a new one! Suggest a correction!| Name | Authority | First published in |
|---|---|---|
| Medicago sativa subsp. faurei | Maire | Bull. Soc. Hist. Nat. Afrique N.24: 208 (1932) |
| Medicago sativa subsp. glomerata | (Balb.) Rouy | G.Rouy & J.Foucaud, Fl. France5: 14 (1899) |
| Medicago sativa subsp. sativa | Unknown |
Germination/Propagation Top
Suggest a correction or add new data!| Sow seeds at 20°C, expecting germination within 3 months without further temperature treatment. |
Distribution (via POWO/KEW) Top
No distribution data was extracted from POWO/KEW yet. We are constantly monitoring for new data.
Links to other databases Top
Suggest others/fix!| Database | ID/link to page |
|---|---|
| World Flora Online | wfo-0000213468 |
| UNII | DJO934BRBD |
| Florida Plant Atlas | 1926 |
| Flora of Alabama | 2015 |
| Canadensys | 5835 |
| USDA Plants | MESA |
| Tropicos | 13035689 |
| INPN | 107711 |
| Flora of Italy | 2568 |
| KEW | urn:lsid:ipni.org:names:30234961-2 |
| The Plant List | ild-8536 |
| Open Tree Of Life | 1086789 |
| Observations.org | 7045 |
| NCBI Taxonomy | 3879 |
| NBN Atlas | NBNSYS0000013971 |
| Nature Serve | 2.143614 |
| IUCN Red List | 174725 |
| IPNI | 506409-1 |
| iNaturalist | 57070 |
| iNaturalist | 57057 |
| GBIF | 2965324 |
| Freebase | /m/0hhpg |
| WisFlora | 4213 |
| FEIS | plants/forb/medsat |
| EPPO | MEDSA |
| EOL | 703652 |
| Elurikkus | 5668 |
| Calflora (Californian flora) | 5387 |
| US Library of Congress | sh85003383 |
| USDA GRIN | 23676 |
| Wikipedia | Alfalfa |
| CMAUP | NPO18321 |
| PFAF | Medicago sativa |
| GBIF | 9151957 |
Genomes (via NCBI) Top
Below is displayed the reference genome only!
If you wish to browse all genomes for this plant click here.
If you wish to browse all genomes for this plant click here.
| Accession | Assembly | |||||
|---|---|---|---|---|---|---|
| Name | Level | Submitter | Released | Coverage | Size | |
| GCA_051527215.1 | Bolivia_mono | Complete Genome | Beijing Institute of Genomics, Chinese Academy of Sciences / China National Center for Bioinformatio | 2025-07-24 | 262 | 739.64 Mb |
Scientific Literature Top
Below are displayed the latest 15 articles published in PMC (PubMed Central®) and other sources (DOI number only)!
If you wish to see all the related articles click here.
If you wish to see all the related articles click here.
Phytochemical Profile Top
Add a new one!
Below are displayed the proven (via scientific papers) natural compounds!
You can also contribute to this by clicking here.
You can also contribute to this by clicking here.
| Name | PubChem ID | Canonical SMILES | MW | Found in | Proof |
|---|---|---|---|---|---|
| > Alkaloids and derivatives | |||||
| Trigonelline | 5570 | Click to see | 137.14 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1080658/ |
| > Benzenoids / Anthracenes / Anthraquinones / Hydroxyanthraquinones | |||||
| Lucidin | 10163 | Click to see | 270.24 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives | |||||
| Phenylethyl Alcohol | 6054 | Click to see C1=CC=C(C=C1)CCO | 122.16 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters | |||||
| (2R,3S)-2-benzoyloxy-3-hydroxybutanedioic acid | 92469118 | Click to see | 254.19 | unknown | https://doi.org/10.1271/BBB1961.41.2427 |
| Benzoyl meso-tartaric acid | 13708642 | Click to see | 254.19 | unknown | https://doi.org/10.1271/BBB1961.41.2427 |
| > Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives | |||||
| Benzaldehyde | 240 | Click to see | 106.12 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| > Benzenoids / Benzene and substituted derivatives / Benzyl alcohols | |||||
| Benzyl Alcohol | 244 | Click to see | 108.14 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| > Benzenoids / Phenanthrenes and derivatives / Hydrophenanthrenes | |||||
| [(2S,4aR,7Z)-1,1,4a,8-tetramethyl-7-[3-(methylamino)propanoyloxymethylidene]-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-2-yl] 3-hydroxy-3-methylbutanoate | 5316123 | Click to see | 491.70 | unknown | via CMAUP database |
| > Benzenoids / Phenols / Methoxyphenols | |||||
| Coniferaldehyde | 5280536 | Click to see | 178.18 | unknown | https://doi.org/10.1016/S0031-9422(02)00375-8 |
| > Hydrocarbons / Saturated hydrocarbons / Alkanes / Branched alkanes | |||||
| 3-Methylnonane | 22202 | Click to see | 142.28 | unknown | via CMAUP database |
| > Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,7-epoxylignans | |||||
| Saucernetin | 443018 | Click to see CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC)C | 372.50 | unknown | via CMAUP database |
| > Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactone lignans | |||||
| Suchilactone | 10915582 | Click to see COC1=C(C=C(C=C1)CC2COC(=O)C2=CC3=CC4=C(C=C3)OCO4)OC | 368.40 | unknown | via CMAUP database |
| > Lignans, neolignans and related compounds / Lignan glycosides | |||||
| (2S,3R,4S,5S,6R)-2-(4-(1,3-dihydroxy-2-(4-((E)-3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy)propyl)-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol | 11972318 | Click to see | 568.60 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters | |||||
| cis-3-Hexenyl butanoate | 5352438 | Click to see | 170.25 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters | |||||
| Monomethyl glutarate | 73917 | Click to see | 146.14 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Branched fatty acids | |||||
| Itaconic acid | 811 | Click to see | 130.10 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Hydroxy fatty acids | |||||
| 3-Hydroxy-3-methylglutaric acid | 1662 | Click to see | 162.14 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids | |||||
| 13-Methyltetradecanoic Acid | 151014 | Click to see | 242.40 | unknown | https://doi.org/10.1016/S0031-9422(00)88688-4 |
| 14-Methylpentadecanoic acid | 36247 | Click to see CC(C)CCCCCCCCCCCCC(=O)O | 256.42 | unknown | https://doi.org/10.1016/S0031-9422(00)88688-4 |
| Oleic Acid | 445639 | Click to see | 282.50 | unknown | https://doi.org/10.1016/S0031-9422(00)88688-4 |
| Palmitic Acid | 985 | Click to see | 256.42 | unknown | https://doi.org/10.1016/S0031-9422(00)88688-4 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids | |||||
| Hexanoic Acid | 8892 | Click to see | 116.16 | unknown | https://doi.org/10.1016/S0031-9422(00)88688-4 |
| Lauric Acid | 3893 | Click to see | 200.32 | unknown | https://doi.org/10.1016/S0031-9422(00)88688-4 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols | |||||
| (2R,3R,4R,5R)-5,6-dihydroxy-2,3,4-trimethoxyhexanal | 163011700 | Click to see | 222.24 | unknown | https://doi.org/10.1039/JR9610004215 |
| (2R,3S,4S,5R)-2,4,5,6-Tetrahydroxy-3-methoxyhexanal | 55250310 | Click to see COC(C(C=O)O)C(C(CO)O)O | 194.18 | unknown | https://doi.org/10.1039/JR9610004215 |
| (3R,5E)-octa-1,5-dien-3-ol | 87509936 | Click to see CCC=CCC(C=C)O | 126.20 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| (R)-oct-1-en-3-ol | 6992244 | Click to see | 128.21 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| 1-Hexanol | 8103 | Click to see CCCCCCO | 102.17 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| 1-Octanol | 957 | Click to see CCCCCCCCO | 130.23 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| 1-Octen-3-Ol | 18827 | Click to see | 128.21 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| 2-O-Methyl-D-mannopyranosa | 560150 | Click to see | 194.18 | unknown | https://doi.org/10.1039/JR9610004215 |
| 2-O-Methylgalactose | 21117001 | Click to see COC(C=O)C(C(C(CO)O)O)O | 194.18 | unknown | https://doi.org/10.1039/JR9610004215 |
| 2,3,4-Tri-O-methylhexose | 538775 | Click to see | 222.24 | unknown | https://doi.org/10.1039/JR9610004215 |
| 2,4,5,6-Tetrahydroxy-3-methoxyhexanal | 298225 | Click to see | 194.18 | unknown | https://doi.org/10.1039/JR9610004215 |
| 3-Hexen-1-ol | 10993 | Click to see | 100.16 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| cis-3-Hexen-1-ol | 5281167 | Click to see CCC=CCCO | 100.16 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| Oct-1,5-dien-3-ol | 205986 | Click to see CCC=CCC(C=C)O | 126.20 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| > Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives | |||||
| Methyl linoleate | 5284421 | Click to see | 294.50 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Lipids and lipid-like molecules / Glycerolipids / Monoradylglycerols / Monoacylglycerols / 2-monoacylglycerols | |||||
| 2-Oleoylglycerol | 5319879 | Click to see | 356.50 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Lipids and lipid-like molecules / Glycerophospholipids / Glycerophosphates | |||||
| sn-Glycerol 3-phosphate | 439162 | Click to see C(C(COP(=O)(O)O)O)O | 172.07 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / C19-gibberellins / C19-gibberellin 6-carboxylic acids | |||||
| (9S)-5-hydroxy-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9,11-dicarboxylic acid | 5315653 | Click to see C=C1CC23CC1(CCC2C45CCCC(C4C3C(=O)O)(C(=O)O5)C(=O)O)O | 362.40 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids | |||||
| Geraniol | 637566 | Click to see CC(=CCCC(=CCO)C)C | 154.25 | unknown | https://doi.org/10.1021/JF00043A019 |
| Linalool | 6549 | Click to see | 154.25 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| 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 | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| Myrcene | 31253 | Click to see | 136.23 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids | |||||
| (+)-Limonene | 440917 | Click to see | 136.23 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| Limonene, (+/-)- | 22311 | Click to see CC1=CCC(CC1)C(=C)C | 136.23 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids | |||||
| 1,3,3-trimethyl-2-[(1E,3E,7E,15E,18E)-3,7,12,16-tetramethyl-18-(2,2,6-trimethylcyclohexylidene)octadeca-1,3,7,15-tetraen-5,9,13-triynyl]cyclohexene | 51035411 | Click to see | 534.90 | unknown | via CMAUP database |
| I2-Ionone | 638014 | Click to see | 192.30 | unknown | https://doi.org/10.1021/JF00043A019 |
| > Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids | |||||
| (3S,14bR)-8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol | 5319977 | Click to see | 442.70 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins | |||||
| (2R,3R,4R,5S,6S)-6-[[(3R,4R,6aS,6bR,8aS,12aR,14bS)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid | 133562205 | Click to see | 941.10 | unknown |
https://doi.org/10.1248/YAKUSHI1947.108.6_547 https://doi.org/10.1021/JF9901237 |
| (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-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-4,8a-dicarboxylic acid | 13732717 | Click to see | 664.80 | unknown | https://doi.org/10.1007/BF00574328 |
| (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid | 21768763 | Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C | 827.00 | unknown | https://doi.org/10.1007/BF00574328 |
| (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid | 101151202 | Click to see | 973.10 | unknown | https://doi.org/10.1021/JF9901237 |
| (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid | 163187662 | Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O)C | 1151.20 | unknown | https://doi.org/10.1021/JF9901237 |
| (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid | 163192191 | Click to see | 1399.50 | unknown | https://doi.org/10.1021/JF9901237 |
| (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid | 102058351 | Click to see | 1297.40 | unknown |
https://doi.org/10.1007/BF00607538 https://doi.org/10.1007/BF00599263 |
| (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2R,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-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 | 162928629 | Click to see | 1075.20 | unknown | https://doi.org/10.1007/BF00574328 |
| (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid | 162881906 | Click to see CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)C)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)C(=O)OC)O)O)O)O)C)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O | 1103.20 | unknown | https://doi.org/10.1021/JF9901237 |
| (2S,3S,4S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid | 163048429 | Click to see CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(OC4OC5C(CC6(C(C5(C)C(=O)O)CCC7(C6CC=C8C7(CCC9(C8CC(CC9)(C)C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C)C)C)O)CO)O)O)CO)O)O)O)O | 1297.40 | unknown | https://doi.org/10.1007/BF00574328 |
| (2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid | 162905158 | Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C | 989.10 | unknown | https://doi.org/10.1021/JF9901237 |
| (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid | 13326387 | Click to see | 797.00 | unknown | https://doi.org/10.1248/YAKUSHI1947.108.6_547 |
| (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-10-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid | 101192452 | Click to see | 1105.30 | unknown | https://doi.org/10.1021/JF9901237 |
| (3S,4S,4aR,6aR,6aR,6bR,8aS,12aR,14aR,14bR)-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-4,8a-dicarboxylic acid | 162898109 | Click to see CC1(CCC2(CCC3(C(C2C1)CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)O)C)C)C)C(=O)O)C | 975.10 | unknown | https://doi.org/10.1016/S0031-9422(00)97226-1 |
| 28-[2-O-(6-Deoxy-I+/--L-mannopyranosyl)-I(2)-L-arabinopyranosyl] (2I(2),3I(2),4I+/-)-3-(I(2)-D-glucopyranosyloxy)-2-hydroxyolean-12-ene-23,28-dioate | 101835360 | Click to see | 943.10 | unknown | https://doi.org/10.1007/BF00607538 |
| 3-[3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid | 163072594 | Click to see | 973.10 | unknown | https://doi.org/10.1021/JF9901237 |
| 3-[3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid | 162932852 | Click to see | 1151.20 | unknown | https://doi.org/10.1021/JF9901237 |
| 3-[3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8a-[3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid | 133052668 | Click to see CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)C)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)C)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)O)O | 1399.50 | unknown | https://doi.org/10.1021/JF9901237 |
| 3-[3,5-Dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-4,8a-dicarboxylic acid | 162898108 | Click to see | 975.10 | unknown | https://doi.org/10.1016/S0031-9422(00)97226-1 |
| 3-Glc, 28-Glc medicagenic acid | 495195 | Click to see | 827.00 | unknown |
https://doi.org/10.1007/BF00607538 https://doi.org/10.1007/BF00574328 https://doi.org/10.1007/BF00599263 |
| 3,4-Dihydroxy-6-[[2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid | 162905157 | Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C | 989.10 | unknown | https://doi.org/10.1021/JF9901237 |
| 5-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-2-carboxylic acid | 78117403 | Click to see | 1105.30 | unknown | https://doi.org/10.1021/JF9901237 |
| 8a-[3-[3,4-Dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-(3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl)oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid | 162881905 | Click to see | 1103.20 | unknown | https://doi.org/10.1021/JF9901237 |
| beta-D-Glucopyranosiduronic acid, (3beta,4beta,22beta)-22,23-dihydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-beta-D-galactopyranosyl-(1-->2)-O-beta-D-glucopyranosyl-(1-->2)- | 21630097 | Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4C(C(C(OC4OC5CCC6(C(C5(C)CO)CCC7(C6CC=C8C7(CCC9(C8CC(CC9O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)CO)O)O)O)O)O | 1105.30 | unknown | https://doi.org/10.1007/BF00574328 |
| I(2)-D-Glucopyranosyl (3I(2),4I+/-)-3-[(2-O-I(2)-D-glucopyranosyl-I+/--L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oate | 101623722 | Click to see | 929.10 | unknown | https://doi.org/10.1007/BF00574328 |
| I(2)-D-Glucopyranosyl (3I(2),4I+/-)-3-[(O-I+/--L-arabinopyranosyl-(1a2)-O-I(2)-D-glucopyranosyl-(1a2)-I+/--L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oate | 101726449 | Click to see | 1061.20 | unknown | https://doi.org/10.1007/BF00574328 |
| Medicagenic acid-3-O-glucopyranoside | 162084 | Click to see | 664.80 | unknown |
https://doi.org/10.1021/JF00099A006 https://doi.org/10.1021/JF9901237 https://doi.org/10.1007/BF00574328 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC180536/ |
| Medicagenic acid-3-O-glucopyranoside | 13732714 | Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)C2C1)C)C(=O)O)C | 664.80 | unknown |
https://doi.org/10.1021/JF00072A007 https://doi.org/10.1007/BF00574328 |
| Medicoside E | 14101174 | Click to see | 929.10 | unknown |
https://doi.org/10.1007/BF00630211 https://doi.org/10.1007/BF00574328 |
| Medicoside F | 131752993 | Click to see | 929.10 | unknown |
https://doi.org/10.1007/BF00630211 https://doi.org/10.1007/BF00574328 |
| Medicoside I | 74177087 | Click to see | 1061.20 | unknown |
https://doi.org/10.1007/BF00607538 https://doi.org/10.1007/BF00574328 https://doi.org/10.1007/BF00599263 |
| Medicoside J | 14779974 | Click to see | 1075.20 | unknown |
https://doi.org/10.1007/BF00574328 https://doi.org/10.1007/BF00599264 https://doi.org/10.1007/BF00599263 |
| Medinoside E | 73814680 | Click to see | 1105.30 | unknown |
https://doi.org/10.1007/BF00630212 https://doi.org/10.1007/BF00574328 |
| Olean-12-en-28-oic acid, 3-[(3-O-beta-D-glucopyranosyl-beta-D-xylopyranosyl)oxy]-23-hydroxy-, beta-D-glucopyranosyl ester, (3beta,4alpha)- | 21630096 | Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C | 929.10 | unknown | https://doi.org/10.1007/BF00574328 |
| Olean-12-ene-23,28-dioic acid, 3-[(O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-O-[beta-D-glucopyranosyl-(1->2)]-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-hydroxy-, 28-beta-D-glucopyranosyl ester, (2beta,3beta,4alpha)- | 14587733 | Click to see CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(OC4OC5C(CC6(C(C5(C)C(=O)O)CCC7(C6CC=C8C7(CCC9(C8CC(CC9)(C)C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C)C)C)O)CO)O)O)CO)O)O)O)O | 1297.40 | unknown | https://doi.org/10.1007/BF00574328 |
| Soyasaponin betag | 164453 | Click to see | 1069.20 | unknown | https://doi.org/10.1021/NP50087A031 |
| Soyasaponin I | 122097 | Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O | 943.10 | unknown |
https://doi.org/10.1021/JF00099A006 https://doi.org/10.1021/JF00014A005 https://doi.org/10.1248/YAKUSHI1947.108.6_547 https://doi.org/10.1021/JF9901237 |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Ambrosanolides and secoambrosanolides | |||||
| (3aR,5R,8aR,9aS)-6-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,8,9,9a-hexahydroazuleno[6,5-b]furan-2,7-dione | 163003102 | Click to see | 262.30 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives | |||||
| [(3aR,4R,6Z,10Z,11aS)-4-acetyloxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-yl]methyl (E)-2-methylbut-2-enoate | 162953859 | Click to see | 404.50 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| Onopordopicrin | 6440861 | Click to see | 348.40 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes | |||||
| 6-[(1E,3Z,5E,7Z,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,5,5-trimethylcyclohexene | 9807220 | Click to see | 536.90 | unknown | via CMAUP database |
| Beta-Carotene | 5280489 | Click to see | 536.90 | unknown | via CMAUP database |
| Phytofluene | 6436722 | Click to see CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C | 542.90 | unknown | https://doi.org/10.1016/0305-1978(75)90058-7 |
| Phytofluene, (15Z)- | 6857557 | Click to see | 542.90 | unknown | https://doi.org/10.1016/0305-1978(75)90058-7 |
| > Lipids and lipid-like molecules / Prenol lipids / Triterpenoids | |||||
| (2S,3R,4S,4aR,6aR,6bS,8S,8aR,12aS,14aR,14bR)-2,3,8-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid | 100938719 | Click to see | 518.70 | unknown | https://doi.org/10.1021/JF00083A005 |
| (3S,4S,6aR,8aS,12aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,12,12a,14,14a-dodecahydropicen-3-ol | 5321408 | Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C=C1)C)C)C)(C)CO)O)C)C | 440.70 | unknown |
https://doi.org/10.1002/PCA.2800040605 https://doi.org/10.1021/JF00083A005 |
| (4aR,6bR,9S,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,10-triol | 5321406 | Click to see | 474.70 | unknown | https://doi.org/10.1021/JF00083A005 |
| (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | 14779980 | Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(CO8)O)O)O)C)C)C2C1)C)C(=O)O)C | 899.10 | unknown | https://doi.org/10.1007/BF00574328 |
| (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | 13878153 | Click to see | 767.00 | unknown | https://doi.org/10.1007/BF00574328 |
| (4aS,6bR,9S,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-3-one | 5321410 | Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1=O)C)C)C)(C)CO)O)C)C | 456.70 | unknown |
https://doi.org/10.1002/PCA.2800040605 https://doi.org/10.1021/JF00083A005 |
| [(3S,8S,10S)-7-hydroxy-17-[(2S,5R)-2-hydroxy-5-(2-hydroxy-2-methylpropyl)oxolan-3-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,12,13,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate | 5322043 | Click to see | 532.80 | unknown | via CMAUP database |
| 10-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | 13878149 | Click to see | 767.00 | unknown | https://doi.org/10.1007/BF00574328 |
| Bayogenin | 12305221 | Click to see | 488.70 | unknown | https://doi.org/10.1021/JF00083A005 |
| Hederagenin | 73299 | Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C | 472.70 | unknown | https://doi.org/10.1021/JF00083A005 |
| Medicagenic acid | 65048 | Click to see | 502.70 | unknown |
https://doi.org/10.1016/S0031-9422(00)97750-1 https://doi.org/10.1016/S0031-9422(00)94504-7 https://doi.org/10.1002/JSFA.2740321204 https://doi.org/10.1002/PCA.2800040605 https://doi.org/10.1021/JF00083A005 https://doi.org/10.1016/S0021-9673(00)90044-X |
| Medicoside C | 14779979 | Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(CO8)O)O)O)C)C)C2C1)C)C(=O)O)C | 899.10 | unknown |
https://doi.org/10.1007/BF00574328 https://doi.org/10.1007/BF00599263 |
| Soyasapogenol A | 12442849 | Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1O)O)C)C)C)(C)CO)O)C)C | 474.70 | unknown | https://doi.org/10.1021/JF00083A005 |
| Soyasapogenol B | 115012 | Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)O)C)C | 458.70 | unknown |
https://doi.org/10.1016/S0031-9422(00)97750-1 https://doi.org/10.1021/JF00083A005 https://doi.org/10.1002/PCA.2800040605 |
| Soyasapogenol C | 3083637 | Click to see | 440.70 | unknown |
https://doi.org/10.1002/PCA.2800040605 https://doi.org/10.1021/JF00083A005 |
| Soyasapogenol D | 46173903 | Click to see CC1(CC(C2(CCC3(C(=C2C1)CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C)C)OC)C | 472.70 | unknown | https://doi.org/10.1002/PCA.2800040605 |
| Soyasapogenol E | 13632872 | Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(=O)C1)C)C)C)(C)CO)O)C)C | 456.70 | unknown |
https://doi.org/10.1002/PCA.2800040605 https://doi.org/10.1021/JF00083A005 |
| Soyasapogenol F | 46173902 | Click to see | 458.70 | unknown | https://doi.org/10.1002/PCA.2800040605 |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Cholestane steroids / Cholesterols and derivatives | |||||
| Cholest-4-en-3-one | 91477 | Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C | 384.60 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives | |||||
| 3beta-Hydroxy-1,11-dioxo-ergosta-8,24(28)-diene-4alpha-carboxylic acid | 9982179 | Click to see | 470.60 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal alkaloids / Solanidines and derivatives | |||||
| (1S,2R,5S,7S,10S,11S,14S,15R,16S,17S,18S,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosane-7,18-diol | 15558969 | Click to see | 415.70 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives | |||||
| (2R,3R,4S,5S,6R)-2-[[(3S,10S,13R)-17-[(E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 11968950 | Click to see | 574.80 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Vitamin D and derivatives | |||||
| Ergocalciferol | 5280793 | Click to see | 396.60 | unknown | https://doi.org/10.1016/0003-9861(84)90363-1 |
| Vitamin D3 | 5280795 | Click to see | 384.60 | unknown | https://doi.org/10.1016/0003-9861(84)90363-1 |
| > Nucleosides, nucleotides, and analogues / Purine nucleosides | |||||
| (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(3S)-4-hydroxy-3-methylbutyl]amino]purin-9-yl]oxolane-3,4-diol | 92143404 | Click to see CC(CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO | 353.37 | unknown | https://doi.org/10.1271/BBB1961.49.3481 |
| (2S,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(Z)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolane-3,4-diol | 94936831 | Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO | 351.36 | unknown | https://doi.org/10.1271/BBB1961.49.3481 |
| 2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | 191 | Click to see | 267.24 | unknown | https://doi.org/10.1021/JF000876P |
| 2-(Hydroxymethyl)-5-(6-((4-hydroxy-3-methylbutyl)amino)purin-9-yl)oxolane-3,4-diol | 533555 | Click to see | 353.37 | unknown | https://doi.org/10.1271/BBB1961.49.3481 |
| 2-(Hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]purin-9-yl]oxolane-3,4-diol | 5529 | Click to see | 351.36 | unknown | https://doi.org/10.1271/BBB1961.49.3481 |
| 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/10.1021/JF000876P |
| Cis-Zeatin Riboside | 13935024 | Click to see | 351.36 | unknown | https://doi.org/10.1271/BBB1961.49.3481 |
| Nebularine | 68368 | Click to see C1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O | 252.23 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| Zeatin riboside | 6440982 | Click to see | 351.36 | unknown | https://doi.org/10.1271/BBB1961.49.3481 |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alanine and derivatives | |||||
| DL-Alanine | 602 | Click to see CC(C(=O)O)N | 89.09 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids | |||||
| 2-Azetidinecarboxylic acid, 1-(3-hydroxypropyl)-, (2S)- | 131231389 | Click to see C1CN(C1C(=O)O)CCCO | 159.18 | unknown | https://doi.org/10.3987/R-1984-05-1039 |
| Alpha-Aminoadipic Acid | 469 | Click to see | 161.16 | unknown | via CMAUP database |
| DL-Glutamine | 738 | Click to see C(CC(=O)N)C(C(=O)O)N | 146.14 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| Medicanine | 101409750 | Click to see | 159.18 | unknown | https://doi.org/10.3987/R-1984-05-1039 |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / D-alpha-amino acids | |||||
| (2R)-2-azaniumyl-5-(carbamoylamino)pentanoate | 7004911 | Click to see | 175.19 | unknown | via CMAUP database |
| (R)-2-Amino-4-(aminooxy)butanoic acid | 10176161 | Click to see | 134.13 | unknown | via CMAUP database |
| 2-Amino-2-deoxy-D-gluconic acid | 73563 | Click to see C(C(C(C(C(C(=O)O)N)O)O)O)O | 195.17 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / L-alpha-amino acids | |||||
| L-2-Aminoadipic Acid | 92136 | Click to see | 161.16 | unknown | via CMAUP database |
| L-canavanine | 439202 | Click to see C(CON=C(N)N)C(C(=O)O)N | 176.17 | unknown | https://doi.org/10.1007/BF02002625 |
| L-Hydroxylysine | 3032849 | Click to see | 162.19 | unknown | https://doi.org/10.1016/S0031-9422(00)82835-6 |
| Nicotianamine | 9882882 | Click to see | 303.31 | unknown | https://doi.org/10.1016/S0031-9422(00)91014-8 |
| Threonine Phosphate | 3246323 | Click to see | 199.10 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Asparagine and derivatives | |||||
| DL-Asparagine | 236 | Click to see C(C(C(=O)O)N)C(=O)N | 132.12 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Leucine and derivatives | |||||
| DL-leucine | 857 | Click to see | 131.17 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Methionine and derivatives | |||||
| (+-)-Methionine | 876 | Click to see | 149.21 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / N-hydroxyl-alpha-amino acids | |||||
| (2S)-6-amino-2-(hydroxyamino)hexanoic acid | 18394836 | Click to see C(CCN)CC(C(=O)O)NO | 162.19 | unknown | https://doi.org/10.1016/S0031-9422(00)82835-6 |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Proline and derivatives | |||||
| (-)-Stachydrine | 115244 | Click to see | 143.18 | unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1080658/ https://doi.org/10.1016/S0031-9422(00)82824-1 |
| 1,1-Dimethylpyrrolidin-1-Ium-2-Carboxylate | 554 | Click to see | 143.18 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1080658/ |
| DL-Proline | 614 | Click to see C1CC(NC1)C(=O)O | 115.13 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| N,N-Dimethylproline | 448301 | Click to see | 144.19 | unknown | via CMAUP database |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Serine and derivatives | |||||
| DL-Serine | 617 | Click to see | 105.09 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Valine and derivatives | |||||
| DL-valine | 1182 | Click to see | 117.15 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Amino acids and derivatives / Gamma amino acids and derivatives | |||||
| 4-Acetamidobutyric acid | 18189 | Click to see | 145.16 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| Gamma-Aminobutyric Acid | 119 | Click to see C(CC(=O)O)CN | 103.12 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides / Oligopeptides | |||||
| (2S)-N-[(1S)-1-[[(1S)-1-(acetylcarbamoyl)-4-guanidino-butyl]carbamoyl]-4-guanidino-butyl]-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-hydroxy-pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanamide | 49769220 | Click to see | 1465.70 | unknown | via CMAUP database |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters | |||||
| cis-3-HEXENYL ACETATE | 5363388 | Click to see | 142.20 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| Hex-3-enyl acetate | 15574 | Click to see | 142.20 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives | |||||
| CID 21952380 | 21952380 | Click to see | 118.09 | unknown | via CMAUP database |
| Fumaric Acid | 444972 | Click to see C(=CC(=O)O)C(=O)O | 116.07 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| Glutaric acid | 743 | Click to see C(CC(=O)O)CC(=O)O | 132.11 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| Succinic Acid | 1110 | Click to see | 118.09 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives | |||||
| Isocitric Acid | 1198 | Click to see | 192.12 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives | |||||
| 3-Hydroxypropionic acid | 68152 | Click to see C(CO)C(=O)O | 90.08 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Organic acids and derivatives / Keto acids and derivatives / Gamma-keto acids and derivatives | |||||
| 2-Oxoglutaric Acid | 51 | Click to see | 146.10 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Organic acids and derivatives / Keto acids and derivatives / Short-chain keto acids and derivatives | |||||
| Oxaloacetic Acid | 970 | Click to see | 132.07 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Organic nitrogen compounds / Organonitrogen compounds / Amines / Secondary amines / Dialkylamines | |||||
| Bis(3-aminopropyl)amine | 5942 | Click to see C(CN)CNCCCN | 131.22 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1055875/ |
| Norspermine | 78350 | Click to see | 188.31 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1055875/ |
| > Organic oxygen compounds / Organic oxides | |||||
| (2S)-2-methyl-4-pentenal | 10176097 | Click to see | 98.14 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| 2-Methylpent-4-enal | 521355 | Click to see | 98.14 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclic alcohols and derivatives | |||||
| 6-(Hydroxymethyl)-6,10,17,17,20,22,23-heptamethyl-2-oxapentacyclo[12.7.1.13,11.05,10.015,20]tricos-14-en-7-ol | 5321409 | Click to see | 458.70 | unknown | https://doi.org/10.1002/PCA.2800040605 |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols | |||||
| Isoamyl alcohol | 31260 | Click to see CC(C)CCO | 88.15 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols | |||||
| (+)-2-Pentanol | 2724896 | Click to see | 88.15 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| (1R,5S)-5-bromo-2-[(E)-2-bromoethenyl]-4,4-dimethylcyclohex-2-en-1-ol | 21603636 | Click to see | 310.03 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| (R)-1-Pentene-3-ol | 6994331 | Click to see | 86.13 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| 1-Penten-3-Ol | 12020 | Click to see | 86.13 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| 2-Pentanol | 22386 | Click to see | 88.15 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols / Cyclohexanols | |||||
| 1D-3-O-Methyl-myo-inositol | 440079 | Click to see COC1C(C(C(C(C1O)O)O)O)O | 194.18 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1080920/ |
| 6-Methoxycyclohexane-1,2,3,4,5-pentol | 230881 | Click to see COC1C(C(C(C(C1O)O)O)O)O | 194.18 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1080920/ |
| Ononitol | 5320294 | Click to see | 194.18 | unknown | via CMAUP database |
| Ononitol, (+)- | 164619 | Click to see | 194.18 | unknown | https://doi.org/10.1016/S0031-9422(00)81730-6 |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glucuronides / O-glucuronides | |||||
| 4-O-alpha-D-Galactopyranuronosyl-alpha-D-galactopyranuronic acid | 6857565 | Click to see C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)O)O)O)O)C(=O)O)O)O | 370.26 | unknown | https://doi.org/10.1039/JR9610004215 |
| GlyTouCan:G62645IG | 4532283 | Click to see | 370.26 | unknown | https://doi.org/10.1039/JR9610004215 |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds | |||||
| 2-O-beta-D-Glucopyranosyl-D-glucopyranose | 12304904 | Click to see C(C1C(C(C(C(O1)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O | 342.30 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| Maltose | 439186 | Click to see | 342.30 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| Melibiose | 440658 | Click to see | 342.30 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| Methyl beta-D-glucopyranoside | 445238 | Click to see | 194.18 | unknown | via CMAUP database |
| Trehalose | 7427 | Click to see C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O | 342.30 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides | |||||
| 1,3,4,5,6-Pentahydroxyhexan-2-One | 1101 | Click to see | 180.16 | unknown | https://doi.org/10.1039/JR9610004215 |
| 1,5-Anhydroglucitol | 64960 | Click to see | 164.16 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| D-(-)-Fructose | 5984 | Click to see | 180.16 | unknown | https://doi.org/10.1039/JR9610004215 |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Heptoses | |||||
| Sedoheptulose | 5459879 | Click to see C(C(C(C(C(C(=O)CO)O)O)O)O)O | 210.18 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses | |||||
| (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal | 19233 | Click to see CC(C(C(C(C=O)O)O)O)O | 164.16 | unknown | https://doi.org/10.1039/JR9610004215 |
| 2,3,4,6-Tetra-O-methyl-D-galactose | 14104336 | Click to see | 236.26 | unknown | https://doi.org/10.1039/JR9610004215 |
| 2,3,4,6-Tetra-O-methylhexose | 538740 | Click to see COCC(C(C(C(C=O)OC)OC)OC)O | 236.26 | unknown | https://doi.org/10.1039/JR9610004215 |
| 6-Deoxyglucose | 93579 | Click to see | 164.16 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| L-(-)-Fucose | 220001 | Click to see CC(C(C(C(C=O)O)O)O)O | 164.16 | unknown | https://doi.org/10.1039/JR9610004215 |
| L-(-)-Fucose | 3034656 | Click to see | 164.16 | unknown | https://doi.org/10.1039/JR9610004215 |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses / Hexose phosphates | |||||
| Glucose 6-phosphate | 5958 | Click to see C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O | 260.14 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Monosaccharide phosphates | |||||
| D-glucopyranose 1-phosphate | 439165 | Click to see | 260.14 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Pentoses | |||||
| 2-O-methyl-D-ribose | 14536299 | Click to see | 164.16 | unknown | https://doi.org/10.1039/JR9610004215 |
| 2-o-Methylxylose | 14536300 | Click to see COC(C=O)C(C(CO)O)O | 164.16 | unknown | https://doi.org/10.1039/JR9610004215 |
| DL-Arabinose | 854 | Click to see | 150.13 | unknown | https://doi.org/10.1039/JR9610004215 |
| L-Ribose | 90428 | Click to see | 150.13 | unknown | https://doi.org/10.1039/JR9610004215 |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives | |||||
| (2R)-2,3-Dihydroxypropanoic acid | 439194 | Click to see C(C(C(=O)O)O)O | 106.08 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes | |||||
| (2R,3R,4R,5S)-2,5-dihydroxy-3,4-dimethoxyhexanal | 162940440 | Click to see CC(C(C(C(C=O)O)OC)OC)O | 192.21 | unknown | https://doi.org/10.1039/JR9610004215 |
| (2R,3S,4R,5S)-2,3,5-trihydroxy-4-methoxyhexanal | 163086457 | Click to see | 178.18 | unknown | https://doi.org/10.1039/JR9610004215 |
| 2-Nonenal | 5283335 | Click to see CCCCCCC=CC=O | 140.22 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| 2-O-methyl-6-deoxy-l-talose | 129844282 | Click to see | 178.18 | unknown | https://doi.org/10.1039/JR9610004215 |
| 2,3,5-Trihydroxy-4-methoxyhexanal | 18534161 | Click to see CC(C(C(C(C=O)O)O)OC)O | 178.18 | unknown | https://doi.org/10.1039/JR9610004215 |
| 2,4-Hexadienal | 637564 | Click to see | 96.13 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| 2,5-Dihydroxy-3,4-dimethoxyhexanal | 22266942 | Click to see | 192.21 | unknown | https://doi.org/10.1039/JR9610004215 |
| 3,4,5-Trihydroxy-2-methoxyhexanal | 12304703 | Click to see | 178.18 | unknown | https://doi.org/10.1039/JR9610004215 |
| Hexa-2,4-dienal | 8901 | Click to see | 96.13 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| Hexanal | 6184 | Click to see | 100.16 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| Hexenal | 10460 | Click to see | 98.14 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| Non-2-enal | 17166 | Click to see | 140.22 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| trans-2-Hexenal | 5281168 | Click to see | 98.14 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated aldehydes / Enals | |||||
| 2-Pentenal | 12993 | Click to see | 84.12 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| 2-Pentenal | 5364752 | Click to see CCC=CC=O | 84.12 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones | |||||
| 1-Penten-3-one | 15394 | Click to see | 84.12 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones | |||||
| 3-Octanone | 246728 | Click to see CCCCCC(=O)CC | 128.21 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| 3-Pentanone | 7288 | Click to see CCC(=O)CC | 86.13 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones | |||||
| Acetophenone | 7410 | Click to see CC(=O)C1=CC=CC=C1 | 120.15 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| > Organic oxygen compounds / Organooxygen compounds / Enols | |||||
| (E)-pent-2-en-2-ol | 5463824 | Click to see | 86.13 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| Methylpentenol | 176548 | Click to see CCCC=C(C)O | 100.16 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| Pent-2-en-2-ol | 20981110 | Click to see | 86.13 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| Pentenol, methyl- | 6442156 | Click to see | 100.16 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| > Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides | |||||
| (R)-(-)-2-Hexen-4-olid | 11137122 | Click to see | 112.13 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| 5-ethyl-2(5H)-furanone | 16997 | Click to see | 112.13 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| > Organoheterocyclic compounds / Heteroaromatic compounds | |||||
| 2-Ethylfuran | 18554 | Click to see CCC1=CC=CO1 | 96.13 | unknown | https://doi.org/10.1016/S0031-9422(97)00119-2 |
| > Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives | |||||
| 2-amino-3,7-dihydropurin-6-one | 764 | Click to see C1=NC2=C(N1)C(=O)N=C(N2)N | 151.13 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Organoheterocyclic compounds / Pyridines and derivatives / Hydropyridines / Pyridinones | |||||
| 2-Hydroxypyridine | 8871 | Click to see C1=CC(=O)NC=C1 | 95.10 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Organoheterocyclic compounds / Pyridines and derivatives / Pyridinecarboxylic acids and derivatives / Pyridinecarboxylic acids | |||||
| 1-Methylpyridinium-3-carboxylate hydrochloride | 6419886 | Click to see C[N+]1=CC=CC(=C1)C(=O)[O-].Cl | 173.60 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids | |||||
| 2-(4-Hydroxy-2-methoxyphenyl)-6-methoxy-1-benzofuran-3-carboxylic acid | 163192693 | Click to see | 314.29 | unknown | https://doi.org/10.1016/0031-9422(93)85025-M |
| Methyl 2-(2-methoxy-4-hydroxyphenyl)-6-methoxy-3-benzofurancarboxylate | 11738939 | Click to see | 328.30 | unknown | https://doi.org/10.1016/0031-9422(93)85025-M |
| > Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acids | |||||
| 2-Propenoic acid, 3-phenyl- | 8784 | Click to see | 148.16 | unknown | https://doi.org/10.1002/PCA.2800040309 |
| Cinnamic acid | 444539 | Click to see C1=CC=C(C=C1)C=CC(=O)O | 148.16 | unknown |
https://doi.org/10.1002/PCA.2800040309 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC158699/ |
| > Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids | |||||
| 4-Coumaric acid | 322 | Click to see | 164.16 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC158699/ |
| Caffeic Acid | 689043 | Click to see | 180.16 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC158699/ |
| Cis-P-Coumaric Acid | 1549106 | Click to see | 164.16 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC158699/ |
| Ferulic Acid | 445858 | Click to see | 194.18 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC158699/ |
| P-Coumaric Acid | 637542 | Click to see | 164.16 | unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC158699/ https://doi.org/10.1002/PCA.2800040309 |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 4-hydroxycoumarins | |||||
| Dicoumarol | 54676038 | Click to see | 336.30 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins | |||||
| Catechin | 9064 | Click to see | 290.27 | unknown | https://doi.org/10.1021/JF00028A012 |
| Epicatechin | 72276 | Click to see | 290.27 | unknown | https://doi.org/10.1021/JF00028A012 |
| > Phenylpropanoids and polyketides / Flavonoids / Flavones | |||||
| 7,4'-Dihydroxyflavone | 5282073 | Click to see | 254.24 | unknown | https://doi.org/10.1016/0031-9422(93)85025-M |
| 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://www.ncbi.nlm.nih.gov/pmc/articles/PMC1077609/ |
| > Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols | |||||
| Azaleatin | 5281604 | Click to see | 316.26 | unknown | https://doi.org/10.1515/ZNC-1980-5-605 |
| Isorhamnetin | 5281654 | Click to see | 316.26 | unknown | https://doi.org/10.1515/ZNC-1980-5-605 |
| Quercetin | 5280343 | Click to see | 302.23 | unknown | https://doi.org/10.1139/B88-058 |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides | |||||
| Petunidin 3-sambubioside | 44256968 | Click to see COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(CO5)O)O)O)O)O | 611.50 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-5-O-glycosides | |||||
| (3S,4S,6S)-2-(hydroxymethyl)-6-[7-hydroxy-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxane-3,4,5-triol | 44256888 | Click to see | 627.50 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides | |||||
| (2R,3S,4S,5R,6S)-5-[(2R,3R,4S,5R,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-3,4-dihydroxyoxane-2-carboxylic acid | 163194018 | Click to see | 798.70 | unknown | https://doi.org/10.1016/S0031-9422(01)00204-7 |
| (2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | 15478939 | Click to see | 446.40 | unknown | https://doi.org/10.1021/JF000876P |
| 4'-O-(2'-E-Feruloyl GluA(1-2)GluA) Apigenin | 134747237 | Click to see | 798.70 | unknown | https://doi.org/10.1016/S0031-9422(01)00204-7 |
| 5-[6-Carboxy-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-3,4-dihydroxyoxane-2-carboxylic acid | 73746333 | Click to see | 798.70 | unknown | https://doi.org/10.1016/S0031-9422(01)00204-7 |
| 6-[4-(5,7-Dihydroxy-4-oxochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | 73195935 | Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O | 446.40 | unknown | https://doi.org/10.1021/JF000876P |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-7-O-glucuronides | |||||
| (2R,3S,4R,5S,6R)-6-[2-[4-[(2S,3S,4R,5R,6S)-6-carboxy-3-[(2S,3R,4R,5R,6R)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 163189754 | Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)C(=O)O)O)O)C(=O)O)O)O)O | 974.80 | unknown | https://doi.org/10.1016/S0031-9422(01)00204-7 |
| (2S,3S,4R,5R,6S)-6-[4-[7-[(2S,3R,4S,5S,6S)-6-carboxy-3-[(2R,3R,4S,5S,6R)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | 162969963 | Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC(=C(C=C6)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)O)C(=O)O)O)O)C(=O)O)O)O)O | 990.80 | unknown | https://doi.org/10.1021/JF000876P |
| (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-6-carboxy-2-[2-[4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 15478938 | Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)OC6C(C(C(C(O6)C(=O)O)O)O)O | 798.60 | unknown | https://doi.org/10.1021/JF000876P |
| (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 102470743 | Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O | 652.50 | unknown | https://doi.org/10.1016/0305-1978(82)90048-5 |
| (2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5R,6R)-2-carboxy-6-[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3-hydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 163188890 | Click to see COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)OC6C(C(C(C(O6)C(=O)O)O)O)O)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O | 1034.80 | unknown | https://doi.org/10.1021/JF010600X |
| (2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5R,6S)-2-carboxy-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 163188532 | Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC=C(C=C6)O)O)C(=O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C(=O)O)O)O)O | 974.80 | unknown |
https://doi.org/10.1021/JF000876P https://doi.org/10.1016/S0031-9422(01)00204-7 |
| (2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5R,6S)-2-carboxy-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 163194391 | Click to see | 944.70 | unknown | https://doi.org/10.1021/JF000876P |
| (2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5S,6S)-2-carboxy-5-[(2R,3R,4S,5S,6R)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 163074648 | Click to see | 944.70 | unknown | https://doi.org/10.1021/JF000876P |
| (2S,3S,4S,5R,6S)-5-[(2R,3R,4S,5S,6R)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid | 163073984 | Click to see | 828.70 | unknown | https://doi.org/10.1021/JF010600X |
| (2S,3S,4S,5R,6S)-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid | 53493979 | Click to see | 828.70 | unknown | https://doi.org/10.1021/JF010600X |
| (2S,3S,4S,5R,6S)-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid | 163194019 | Click to see | 858.70 | unknown | https://doi.org/10.1021/JF010600X |
| (2S,3S,4S,5R,6S)-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid | 163185761 | Click to see | 888.70 | unknown | https://doi.org/10.1021/JF010600X |
| (2S,3S,4S,5R,6S)-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid | 101147711 | Click to see COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)OC(=O)C=CC6=CC=C(C=C6)O)O | 828.70 | unknown | https://doi.org/10.1021/JF010600X |
| (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 162889687 | Click to see | 492.40 | unknown | https://doi.org/10.1021/JF010600X |
| (2S,3S,4S,5R,6S)-6-[2-[4-[(2S,3R,4S,5S,6S)-6-carboxy-3-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 162856202 | Click to see | 974.80 | unknown | https://doi.org/10.1016/S0031-9422(01)00204-7 |
| (2S,3S,4S,5R,6S)-6-[2-[4-[(2S,3R,4S,5S,6S)-6-carboxy-3-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 162984507 | Click to see C1=CC(=CC=C1C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)C(=O)O)O)O)C(=O)O)O)O)O | 944.70 | unknown | https://doi.org/10.1016/S0031-9422(01)00204-7 |
| (2S,3S,4S,5R,6S)-6-[2-[4-[(2S,3S,4S,5S,6S)-6-carboxy-3-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 162984508 | Click to see | 944.70 | unknown | https://doi.org/10.1016/S0031-9422(01)00204-7 |
| (2S,3S,4S,5R,6S)-6-[4-[7-[(2S,3R,4S,5S,6S)-6-carboxy-3-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | 15478943 | Click to see | 990.80 | unknown | https://doi.org/10.1021/JF000876P |
| (2S,3S,4S,5R,6S)-6-[4-[7-[(2S,3R,4S,5S,6S)-6-carboxy-3-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | 15478940 | Click to see | 974.80 | unknown | https://doi.org/10.1021/JF000876P |
| (2S,3S,4S,5R,6S)-6-[4-[7-[(2S,3S,4S,5S,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | 163000075 | Click to see | 652.50 | unknown | https://doi.org/10.1021/JF010600X |
| (2S,3S,4S,5R,6S)-6-[4-[7-[(2S,3S,4S,5S,6R)-6-carboxy-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | 162849054 | Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)OC6C(C(C(C(O6)C(=O)O)O)O)O | 784.60 | unknown | https://doi.org/10.1021/JF000876P |
| (2S,3S,4S,5S,6S)-5-[(2R,3S,4S,5S,6R)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid | 163036884 | Click to see | 828.70 | unknown | https://doi.org/10.1021/JF010600X |
| (2S,3S,4S,5S,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 162889686 | Click to see COC1=CC(=CC(=C1O)O)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O | 492.40 | unknown | https://doi.org/10.1021/JF010600X |
| (2S,3S,4S,5S,6S)-6-[2-[4-[(2S,3S,4S,5S,6R)-6-carboxy-3-[(2R,3R,4R,5S,6R)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 163194020 | Click to see | 944.70 | unknown | https://doi.org/10.1016/S0031-9422(01)00204-7 |
| 3,4,5-Trihydroxy-6-(5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl)oxyoxane-2-carboxylic acid | 5387370 | Click to see | 446.40 | unknown | https://doi.org/10.1021/JF000876P |
| 3'-Methoxytricetin 7-glucuronide | 74977744 | Click to see COC1=CC(=CC(=C1O)O)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O | 492.40 | unknown | https://doi.org/10.1021/JF010600X |
| 4-[7-(beta-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-methoxyphenyl beta-D-glucopyranosiduronic acid | 163000074 | Click to see | 652.50 | unknown | https://doi.org/10.1021/JF010600X |
| 5-[6-Carboxy-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid | 74977717 | Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC(=C(C=C6)O)OC)O)C(=O)O)O)O)C(=O)O)O)O)O | 828.70 | unknown | https://doi.org/10.1021/JF010600X |
| 5-[6-Carboxy-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid | 162864442 | Click to see | 858.70 | unknown | https://doi.org/10.1021/JF010600X |
| 5-[6-Carboxy-4,5-dihydroxy-3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid | 162919955 | Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC(=C(C(=C6)OC)O)OC)O)C(=O)O)O)O)C(=O)O)O)O | 888.70 | unknown | https://doi.org/10.1021/JF010600X |
| 5-[6-Carboxy-4,5-dihydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid | 74977756 | Click to see COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)OC(=O)C=CC6=CC=C(C=C6)O)O | 828.70 | unknown | https://doi.org/10.1021/JF010600X |
| 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl O-I(2)-D-glucopyranuronosyl-(1a3)-O-2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-I(2)-D-glucopyranuronosyl-(1a2)-I(2)-D-glucopyranosiduronic acid | 163190564 | Click to see | 1004.80 | unknown | https://doi.org/10.1021/JF010600X |
| 5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid | 162996911 | Click to see | 682.50 | unknown | https://doi.org/10.1021/JF010600X |
| 6-[2-[4-[6-Carboxy-3-[6-carboxy-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 162856199 | Click to see | 974.80 | unknown | https://doi.org/10.1016/S0031-9422(01)00204-7 |
| 6-[2-[4-[6-Carboxy-3-[6-carboxy-4,5-dihydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 74977539 | Click to see | 944.70 | unknown | https://doi.org/10.1016/S0031-9422(01)00204-7 |
| 6-[2-Carboxy-5-[6-carboxy-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-3-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 163039790 | Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC=C(C=C6)O)O)C(=O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C(=O)O)O)O)O | 974.80 | unknown |
https://doi.org/10.1021/JF000876P https://doi.org/10.1016/S0031-9422(01)00204-7 |
| 6-[2-Carboxy-5-[6-carboxy-4,5-dihydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-3-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 74977538 | Click to see | 944.70 | unknown | https://doi.org/10.1021/JF000876P |
| 6-[2-Carboxy-6-[6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3-hydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 163004124 | Click to see | 1004.80 | unknown | https://doi.org/10.1021/JF010600X |
| 6-[2-Carboxy-6-[6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3-hydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 162926764 | Click to see | 1034.80 | unknown | https://doi.org/10.1021/JF010600X |
| 6-[4-[7-[6-Carboxy-3-[6-carboxy-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | 74977681 | Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC(=C(C=C6)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)O)C(=O)O)O)O)C(=O)O)O)O)O | 990.80 | unknown | https://doi.org/10.1021/JF000876P |
| 6-[4-[7-[6-Carboxy-3-[6-carboxy-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | 163024103 | Click to see | 974.80 | unknown | https://doi.org/10.1021/JF000876P |
| Apigenin 7-[glucuronyl-(1->2)-glucuronide] 4'-glucuronide | 131752324 | Click to see | 798.60 | unknown | https://doi.org/10.1021/JF000876P |
| Apigenin 7-O-glucuronide | 5319484 | Click to see | 446.40 | unknown |
https://doi.org/10.1021/JF000876P https://doi.org/10.1016/0305-1978(82)90048-5 |
| Chrysoeriol 4',7-diglucuronide | 74977716 | Click to see | 652.50 | unknown | https://doi.org/10.1021/JF010600X |
| Clerodendrin | 5488004 | Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O | 622.50 | unknown | https://doi.org/10.1021/JF000876P |
| Flavone base + 3O, O-HexA-HexA | 74977517 | Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O | 622.50 | unknown | https://doi.org/10.1021/JF000876P |
| 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 | https://doi.org/10.1021/JF000876P |
| Luteolin-7-O-glucuronide | 13607752 | Click to see | 462.40 | unknown | https://doi.org/10.1021/JF000876P |
| Tricin 7-diglucuronoside | 131752191 | Click to see | 682.50 | unknown | https://doi.org/10.1021/JF010600X |
| Tricin 7-glucuronoside | 74977751 | Click to see | 506.40 | unknown | https://doi.org/10.1021/JF010600X |
| Tricin 7-O-glucuronide | 101939793 | Click to see | 506.40 | unknown |
https://doi.org/10.1016/0305-1978(82)90048-5 https://doi.org/10.1021/JF010600X |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides | |||||
| (2S,3R,4S,5R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol | 6325587 | Click to see | 463.40 | unknown | via CMAUP database |
| 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | 163026778 | Click to see | 478.40 | unknown | https://doi.org/10.1515/ZNC-1980-5-605 |
| 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | 163044686 | Click to see | 492.40 | unknown | https://doi.org/10.1515/ZNC-1980-5-605 |
| 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 |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1077608/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1077609/ |
| Petunidin 3-arabinoside cation | 6325802 | Click to see COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(CO4)O)O)O)O)O | 449.40 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides | |||||
| 2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | 71541772 | Click to see | 430.40 | unknown | via CMAUP database |
| Naringin | 442428 | Click to see | 580.50 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
| > Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids | |||||
| 3',5'-di-O-methyltricetin(1-) | 46878516 | Click to see COC1=CC(=CC(=C1[O-])OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O | 329.28 | unknown | via CMAUP database |
| Isokaempferide | 5280862 | Click to see | 300.26 | unknown | https://doi.org/10.1515/ZNC-1980-5-605 |
| Malvidin | 159287 | Click to see | 331.30 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Isoflavonoids / Coumestans | |||||
| 3-Hydroxy-8,9-dimethoxycoumestan | 5748556 | Click to see COC1=C(C=C2C(=C1)C3=C(O2)C4=C(C=C(C=C4)O)OC3=O)OC | 312.27 | unknown | https://doi.org/10.1016/S0031-9422(00)83981-3 |
| 3-Hydroxy-9-methoxy-6H-benzofuro(3,2-c)(1)benzopyran-6-one | 5319565 | Click to see | 282.25 | unknown | https://doi.org/10.1021/JF60142A033 |
| 4,9-Dihydroxy-3-methoxy-6H-benzofuro(3,2-c)(1)benzopyran-6-one | 3084009 | Click to see | 298.25 | unknown | via CMAUP database |
| Coumestrol | 5281707 | Click to see C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O | 268.22 | unknown |
https://doi.org/10.1016/0160-9327(76)90004-1 https://doi.org/10.1021/JF60229A034 https://doi.org/10.1111/J.1748-1716.1962.TB02499.X https://doi.org/10.1016/0031-9422(93)85025-M https://doi.org/10.1021/JF00121A041 https://doi.org/10.1093/OXFORDJOURNALS.JHERED.A102397 |
| Lucernol | 5748586 | Click to see | 284.22 | unknown | via CMAUP database |
| Medicagol | 5319322 | Click to see C1OC2=C(O1)C=C3C(=C2)C4=C(O3)C5=C(C=C(C=C5)O)OC4=O | 296.23 | unknown | via CMAUP database |
| Wairol | 5488650 | Click to see COC1=CC2=C(C(=C1)OC)C3=C(O2)C4=C(C=C(C=C4)O)OC3=O | 312.27 | unknown | https://doi.org/10.1016/S0031-9422(00)83981-3 |
| > Phenylpropanoids and polyketides / Isoflavonoids / Furanoisoflavonoids / Pterocarpans | |||||
| 3-Hydroxy-4,9-dimethoxypterocarpan | 14077265 | Click to see COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4OC)O | 300.30 | unknown |
https://doi.org/10.1021/NP50056A025 https://doi.org/10.1021/NP50063A026 |
| Medicarpin | 336327 | Click to see COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O | 270.28 | unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC158695/ https://doi.org/10.1021/NP50063A026 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC158699/ https://doi.org/10.1021/NP50056A025 https://doi.org/10.1016/0031-9422(91)85107-B |
| Methylnissolin | 5319733 | Click to see | 300.30 | unknown | https://doi.org/10.1016/0031-9422(91)83483-2 |
| > Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones | |||||
| CID 11777207 | 11777207 | Click to see | 257.21 | unknown | via CMAUP database |
| Daidzein | 5281708 | Click to see | 254.24 | unknown | https://doi.org/10.1021/JF60116A026 |
| Genistein | 5280961 | Click to see | 270.24 | unknown | https://doi.org/10.1111/J.1748-1716.1962.TB02499.X |
| > Phenylpropanoids and polyketides / Isoflavonoids / Isoflavonoid O-glycosides | |||||
| Formononetin 7-O-glucoside-6''-O-malonate | 23724663 | Click to see | 516.40 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids | |||||
| 7-Hydroxy-2',4',5'-trimethoxyisoflavan | 14394138 | Click to see | 316.30 | unknown | https://doi.org/10.1021/NP50063A026 |
| Sativan | 170570 | Click to see | 286.32 | unknown | https://doi.org/10.1021/NP50063A026 |
| Sativan | 596401 | Click to see COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC | 286.32 | unknown | https://doi.org/10.1021/NP50063A026 |
| > Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids / 4-O-methylisoflavones | |||||
| Biochanin A | 5280373 | Click to see | 284.26 | unknown | https://doi.org/10.1021/JF60116A026 |
| CID 10378473 | 10378473 | Click to see | 271.24 | unknown | via CMAUP database |
| Formononetin | 5280378 | Click to see | 268.26 | unknown | https://doi.org/10.1016/0031-9422(93)85025-M |
| > Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 7-O-methylated isoflavonoids / 7-O-methylisoflavones | |||||
| Alfalone | 12132870 | Click to see COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)O)OC | 298.29 | unknown | https://doi.org/10.1271/BBB1961.52.3223 |
| > Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / 2-Hydroxychalcones | |||||
| Isoliquiritigenin | 638278 | Click to see | 256.25 | unknown | https://doi.org/10.1271/BBB.57.1353 |
| > Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / Retro-dihydrochalcones | |||||
| Licodione | 439528 | Click to see | 272.25 | unknown |
https://doi.org/10.1271/BBB.57.1353 https://doi.org/10.1271/BBB1961.52.3223 |
| > Phenylpropanoids and polyketides / Stilbenes | |||||
| Piceatannol | 667639 | Click to see | 244.24 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/ |
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