Brassica oleracea - Unknown
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Internal ID UUID64400dc40f86d488521180
Scientific name Brassica oleracea
Authority L.
First published in Sp. Pl. : 667 (1753)

Description Top

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Romanesco broccoli
BotrytisBrassica oleracea var. botrytis

Broccoli rabe
RapaBrassica oleracea var. rapa

Chinese broccoli
AlboglabraBrassica oleracea var. alboglabra

Chinese cabbage
PekinensisBrassica rapa subsp. pekinensis

Bok choy
ChinensisBrassica rapa subsp. chinensis

Napa cabbage
PekinensisBrassica rapa subsp. pekinensis

Mizuna
NipposinicaBrassica rapa subsp. nipposinica

Komatsuna
PerviridisBrassica rapa subsp. perviridis

Tatsoi
NarinosaBrassica rapa subsp. narinosa

Turnip
RapaBrassica rapa subsp. rapa

Rutabaga
NapobrassicaBrassica napus subsp. napobrassica

Canola
NapusBrassica napus subsp. napus

Oilseed rape
NapusBrassica napus subsp. napus

R

Synonyms Top

Scientific name Authority First published in
Raphanus brassica Crantz Cl. Crucif. Emend. 63 (1769). [Jan-Aug 1769]
Raphanus brassica-officinalis Crantz Cl. Crucif. Emend. : 112 (1769)
Rapa rotunda Mill. Gard. Dict. ed. 8 : n.º 1 (1768)
Brassica alba (L.) Boiss. Voy. Bot. Espagne 2: 39. 1839 [9 Oct 1839]
Brassica alboglabra L.H.Bailey Gentes Herbarum 1: 79 (1922)
Brassica arborea Steud. Nomencl. Bot. 1: 116 (1821)
Brassica bullata Pasq. Cat. Ort. Bot. Napoli : 17 (1867)
Brassica campestris subsp. sylvestris (L.) Janch.
Brassica capitata DC. ex H.Lév. Monde Pl. 12: 24 (1910)
Brassica cauliflora Garsault Fig. Pl. Med. 2: t. 179. 1764, nom. inval., opus utique oppressum; Descr. Pl. Anim 123. 1767; Thell. in Bull. Herb. Boiss. Ser. II. viii. 787.
Brassica caularapa Pasq. Cat. Ort. Bot. Napoli : 17 (1867)
Brassica cephala DC. ex H.Lév. Monde Pl. 12: 24 (1910)
Brassica fimbriata hort. ex Steud. Nomencl. Bot. , ed. 2, 1: 223 (1840)
Brassica gemmifera H.Lév. Monde Pl. 12: 24 (1910)
Brassica laciniata Steud. Nomencl. Bot. 1: 116 (1821)
Brassica maritima Tardent Essai Hist. Nat. Bessarabie 79. 1841
Brassica millecapitata H.Lév. Monde Pl. 12: 24 (1910)
Brassica muscovita Steud. Nomencl. Bot. [Steudel] 117. 1821
Brassica odorata Schrank ex Steud. Nomencl. Bot. [Steudel] 117. 1821
Brassica oleracea f. aberdeenea Alef. Landw. Fl. 240 1866
Brassica oleracea var. acephala DC. Syst. Nat. 2: 583 1821
Brassica oleracea f. alba DC. Syst. Nat. 2: 586 1821
Brassica oleracea f. albida DC. Syst. Nat. 2: 586 1821
Brassica oleracea var. albiflora Kuntze Revis. Gen. Pl. 1: 19 1891
Brassica oleracea var. aloides Kitt. Taschenb. Fl. Deutschl. 552 1837
Brassica oleracea f. ardeina Alef. Landw. Fl. 237 1866
Brassica oleracea var. asparagoides DC. Syst. Nat. 2: 587 1821
Brassica oleracea f. atrorubens Alef. Landw. Fl. 240 1866
Brassica oleracea f. aurata Alef. Landw. Fl. 237 1866
Brassica oleracea f. azurea Uspensky Bull. Soc. Imp. Naturalistes Moscou 7: 376 1834
Brassica oleracea var. bullata DC. Syst. Nat. 2: 583 1821
Brassica oleracea var. capitata L. Sp. Pl. : 667 (1753)
Brassica oleracea var. caulorapa DC. Syst. Nat. 2: 583 1821
Brassica oleracea f. chamaegongyla Alef. Landw. Fl. 240 1866
Brassica oleracea f. chamjodusa Alef. Landw. Fl. 241 1866
Brassica oleracea f. chlorusa Alef. Landw. Fl. 242 1866
Brassica oleracea f. compressa Duchesne Encycl. 1: 744 1785
Brassica oleracea f. conica DC. Syst. Nat. 2: 586 1821
Brassica oleracea var. costata DC. Syst. Nat. 2: 584 (1821)
Brassica oleracea var. crispa Vill. Hist. Pl. Dauphiné 3: 336 1788
Brassica oleracea f. culinarum Alef. Landw. Fl. 237 1866
Brassica oleracea f. depressa DC. Syst. Nat. 2: 585 1821
Brassica oleracea f. dinojodusa Alef. Landw. Fl. 242 1866
Brassica oleracea f. dissecta Peterm. Fl. Lips. Excurs. 490 1838
Brassica oleracea f. elliptica DC. Syst. Nat. 2: 586 1821
Brassica oleracea f. erythrobotrys Alef. Landw. Fl. 244 1866
Brassica oleracea f. exaltata (Rchb.) Thell.
Brassica oleracea var. fimbriata Mill. Gard. Dict. ed. 8 s.p. 1768
Brassica oleracea var. frutescens Vis. Fl. Dalmat. 3: 135 1850
Brassica oleracea var. gemmifera DC. Syst. Nat. 2: 585 (1821)
Brassica oleracea subsp. gemmifera (DC.) O.E.Schulz Pflanzenr. IV, 105(70): 31 1919
Brassica oleracea f. germanorum Alef. Landw. Fl. 237 1866
Brassica oleracea var. gongylodes L. Sp. Pl. : 667 (1753)
Brassica oleracea f. grangei Alef. Landw. Fl. 243 1866
Brassica oleracea var. herbacea Spach Hist. Nat. Vég. 6: 359 1838
Brassica oleracea f. humilis DC. Syst. Nat. 2: 585 1821
Brassica oleracea f. jodocephala Alef. Landw. Fl. 239 1866
Brassica oleracea f. jodogongyla Alef. Landw. Fl. 241 1866
Brassica oleracea var. kashmiriana Naqshi & Javeid J. Econ. Taxon. Bot. 9: 91 (1987)
Brassica oleracea var. laciniata L. Sp. Pl. : 667 (1753)
Brassica oleracea f. longa Alef. Landw. Fl. 237 1866
Brassica oleracea f. loudonii Alef. Landw. Fl. 242 1866
Brassica oleracea f. luteola Alef. Landw. Fl. 235 1866
Brassica oleracea f. macrocephala Alef. Landw. Fl. 239 1866
Brassica oleracea f. macrogongyla Alef. Landw. Fl. 240 1866
Brassica oleracea f. magniportana Alef. Landw. Fl. 243 1866
Brassica oleracea f. major DC. Syst. Nat. 2: 585 1821
Brassica oleracea var. maritima Coss. Comp. Fl. Atlant. 2: 183 1885
Brassica oleracea f. media Alef. Landw. Fl. 237 1866
Brassica oleracea f. microcephala Alef. Landw. Fl. 238 1866
Brassica oleracea var. micropodium Kuntze Revis. Gen. Pl. 1: 19 1891
Brassica oleracea f. oblonga DC. Syst. Nat. 2: 585 1821
Brassica oleracea f. obovata DC. Syst. Nat. 2: 586 1821
Brassica oleracea f. opsibotrys Alef. Landw. Fl. 244 1866
Brassica oleracea f. opsigongyla Alef. Landw. Fl. 241 1866
Brassica oleracea f. opsjodusa Alef. Landw. Fl. 242 1866
Brassica oleracea f. pentovillea Alef. Landw. Fl. 239 1866
Brassica oleracea f. phaeusa Alef. Landw. Fl. 242 1866
Brassica oleracea f. praecox DC. Syst. Nat. 2: 585 1821
Brassica oleracea f. procera Alef. Landw. Fl. 235 1866
Brassica oleracea f. protobotrys Alef. Landw. Fl. 244 1866
Brassica oleracea f. protojodusa Alef. Landw. Fl. 241 1866
Brassica oleracea f. purascens DC. Syst. Nat. 2: 584 1821
Brassica oleracea f. purpurascens DC. Syst. Nat. 2: 235 1821
Brassica oleracea f. pyramidalis Mill. Gard. Dict. ed. 8 s.p. 1768
Brassica oleracea f. pyramidula Alef. Landw. Fl. 240 1866
Brassica oleracea f. quercifolia DC. Syst. Nat. 2: 235 1821
Brassica oleracea var. ramosa (DC.) Alef. Landw. Fl. 234 1866
Brassica oleracea var. rubra L. Sp. Pl. : 667 (1753)
Brassica oleracea f. rubra Peterm. Fl. Lips. Excurs. 489 1838
Brassica oleracea var. sabauda L. Sp. Pl. : 667 (1753)
Brassica oleracea var. sabellica L. Sp. Pl. : 667 (1753)
Brassica oleracea f. salinaria Kitt. Taschenb. Fl. Deutschl. 553 1837
Brassica oleracea f. schizogongyla Alef. Landw. Fl. 241 1866
Brassica oleracea var. scotica Alef. Landw. Fl. 235 1866
Brassica oleracea var. selenisia L. Sp. Pl. 667 1753
Brassica oleracea f. selenisia (L.) O.E.Schulz Pflanzenr. IV, 105(70): 31 1919
Brassica oleracea f. semiclausa Alef. Landw. Fl. 237 1866
Brassica oleracea f. serotissima Alef. Landw. Fl. 242 1866
Brassica oleracea var. sibirica Alef. Landw. Fl. 234 1866
Brassica oleracea f. sphaerica DC. Syst. Nat. 2: 585 1821
Brassica oleracea f. sublaciniata Alef. Landw. Fl. 237 1866
Brassica oleracea var. sylvestris L. Sp. Pl. ed. 2 932 1763
Brassica oleracea f. theiusa Alef. Landw. Fl. 243 1866
Brassica oleracea f. turionensis DC. Syst. Nat. 2: 585 1821
Brassica oleracea f. ulmensis Alef. Landw. Fl. 237 1866
Brassica oleracea f. veris Alef. Landw. Fl. 243 1866
Brassica oleracea f. versicolor DC. Syst. Nat. 2: 235 1821
Brassica oleracea f. violacea Duchesne Encycl. 1: 745 1785
Brassica oleracea f. violascens G.Martens Fl. Würtemberg ed. 2: 35 1865
Brassica oleracea var. viridis L. Sp. Pl. : 667 (1753)
Brassica oleracea f. viridis Duchesne Encycl. 1: 745 1785
Brassica oleracea f. viridis (L.) DC. Syst. Nat. 2: 583 1821
Brassica peregrina Steud. Nomencl. Bot. [Steudel] 117. 1821
Brassica quercifolia DC. ex H.Lév. Monde Pl. 12: 24 (1910)
Brassica rubra hort. ex Steud. Nomencl. Bot. , ed. 2, 1: 224 (1840)
Brassica sabellica hort. ex Pers. Syn. Pl. [Persoon] 2(1): 206, in syn. 1806 [Nov 1806]
Brassica suttoniana H.Lév. Monde Pl. 12: 24 (1910)
Brassica sylvestris Mill. Gard. Dict. ed. 8 : n.º 4 (1768)
Crucifera brassica E.H.L.Krause Deutschl. Fl. Abbild. , ed. 2, 6: 135 (1902)
Napus oleracea K.F.Schimp. & Spenn. Fl. Friburg. 3: 939 (1829)
Brassica sabauda (L.) Lizg. 85. 85. 1965
Brassica subspontanea Lizg. 1 1 1965
Brassica sylvestris subsp. sylvestris (L.) see Mueller, Johann Sebastian
Brassica oleracea var. tronchuda L.H.Bailey Gentes Herb. 2: 225. 1930
Brassica oleracea subsp. capitata (L.) Metzg. 22. 22. 1833
Brassica oleracea subsp. caulorapa Metzg. Syst. Beschr. Kohlart. : 33 (1833)
Brassica oleracea subsp. gemmifera (DC.) Schwarz
Brassica oleracea subsp. fruticosa Metzg. Syst. Beschr. Kohlart. : 12 (1833)
Brassica oleracea subsp. acephala (DC.) Metzg. Syst. Beschr. Kohlart. : 14 (1833)

Common names Top

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Language Common/alternative name
English cabbage
English wild mustard
English collard greens
Spanish col silvestre
Spanish berzas
Spanish berza caballar
Spanish broculi
Spanish bróculi
Spanish col caballar
Spanish col comun
Spanish col de repollo
Spanish col forrajera
Spanish col gallega
Spanish col portuguesa
Spanish coliflores
Afrikaans kool
Amharic ጎመን
Arabic براسيكا زيتية
Arabic قرنبيط
Arabic قنبيط
Assamese বন্ধাকবি
atj tcikapec
Azerbaijani bostan kələmi
Azerbaijani gül kələm
azb گۆل کلم
ba Кәбеҫтә
Belarusian Капуста
Belarusian Капуста белакачанная
Belarusian капуста агародная
bho गोभी
Bengali বুনো বাঁধাকপি
Bosnian kupus
Catalan chou commun
Catalan col vera
Catalan trompítxol
Catalan trompítxols
Catalan col
Czech brukev zelná
Welsh bresychen wyllt
Danish have-kål
German gemüsekohl
German gemüse-kohl
German kohlgemüse
German chou commun
German klippenkohl
Esperanto brasika legomo
Esperanto legoma brasiko
Estonian kapsas
Basque aza
Persian کلم
Finnish kaali
Finnish villikaali
French chou commun
French chou vert
French chou blanc
French cabut
frr (wil) kual
Galician col
Hebrew כרוב הבר
Croatian zelje
Croatian kupus
Upper Sorbian zeleninowy kał
Hungarian vadkáposzta
Hungarian káposzta
Armenian կաղամբ
Icelandic garðakál
Italian cavolo
Japanese コウヴィ
Japanese ヤセイカンラン
Georgian ბოსტნის კომბოსტო
kaa kapusta
Kazakh Жапырақты қырыққабат
Korean 브라시카 올레라케아
lb kabes
lbe Калан
li wit moos
lij cöo
Lithuanian chou commun
Lithuanian kopūstas
Latvian dārza kāposts
Latvian kāposti
Latvian dārza kāposti
Latvian kāposts
mai बन्दाकोबी
mdf Капста
Macedonian Дива зелка
Macedonian дива зелка
Macedonian зелкови култури
Norwegian Bokmål kål
Dutch kool
Dutch kool en wilde kool
Norwegian Nynorsk kål
os Къабуска
pam repolyu
Polish kapusta ogrodowa
Polish kapusta warzywna
Pashto كرم
Portuguese couve
Quechua kulis
rn ishu
Russian кочанная капуста
Russian капуста
Russian капуста краснокочанная
Russian краснокочанная
Russian капуста огородная
rup verdzu
sat ᱯᱚᱴᱚᱢ ᱠᱚᱵᱤ
Serbo-Croatian divlji kupus
Serbo-Croatian kupus
Slovak kapusta obyčajná
Slovenian kapus
Slovenian broskva
Serbian дивљи купус
Serbian Дивљи купус
Swedish kål
Swedish romanesco
Swedish broccolo
Swedish vitkål
Swedish chou commun
Swedish rödkål
Tamil பிராசிகா ஓலரேசியா
tk kelem
Turkish lahana
Turkish pancar
tt бакча кәбестәсе
tyv Байзаа
Ukrainian городня капуста
Ukrainian капуста городня
Urdu بند گوبھی
Vietnamese cải bắp dại
Walloon cabu
yi קרויט
Chinese 卷心菜
Chinese 野甘蓝
Chinese 甘蓝
Chinese 甘藍菜
Chinese 甘藍

Subspecies (abbr. subsp./ssp.) Top

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No subspecies added yet.

Varieties (abbr. var.) Top

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No variety added yet.

Subvarieties (abbr. subvar.) Top

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No subvariety added yet.

Forms (abbr. f.) Top

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No forms added yet.

Germination/Propagation Top

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Sow seeds at 20°C, expecting germination within 3 months without further temperature treatment.

Distribution (via POWO/KEW) Top

Legend for the distribution data:
- Doubtful data
- Extinct
- Introduced
- Native
  • Africa
    • East Tropical Africa
      • Kenya
      • Tanzania
    • Macaronesia
      • Azores
      • Canary Islands
      • Madeira
    • Northeast Tropical Africa
      • Ethiopia
    • Northern Africa
      • Algeria
      • Libya
      • Morocco
      • Tunisia
    • West-central Tropical Africa
      • Zaïre
  • Antarctica
    • Subantarctic Islands
      • Crozet Islands
      • Falkland Islands
  • Asia-temperate
    • Arabian Peninsula
      • Saudi Arabia
    • China
      • China North-central
      • China South-central
      • China Southeast
    • Eastern Asia
      • Korea
    • Middle Asia
      • Kazakhstan
      • Tadzhikistan
      • Turkmenistan
    • Western Asia
      • Iraq
      • Lebanon-Syria
  • Asia-tropical
    • Indian Subcontinent
      • Assam
      • Bangladesh
      • East Himalaya
      • India
    • Indo-China
      • Vietnam
  • Australasia
    • Australia
      • New South Wales
      • Northern Territory
      • Queensland
      • South Australia
      • Tasmania
      • Victoria
      • Western Australia
    • New Zealand
      • Antipodean Islands
      • Chatham Islands
      • New Zealand North
      • New Zealand South
  • Europe
    • Eastern Europe
      • Baltic States
      • Belarus
      • Central European Russia
      • East European Russia
      • Krym
      • North European Russia
      • Northwest European Russia
      • South European Russia
      • Ukraine
    • Middle Europe
      • Belgium
      • Czechoslovakia
      • Germany
      • Netherlands
    • Northern Europe
      • Great Britain
    • Southeastern Europe
      • Albania
      • Bulgaria
      • Greece
    • Southwestern Europe
      • France
      • Sardegna
      • Spain
  • Northern America
    • Eastern Canada
      • Labrador
      • Newfoundland
      • Ontario
      • Prince Edward Island
      • Québec
    • North-central U.S.A.
      • Illinois
      • Iowa
    • Northeastern U.S.A.
      • Connecticut
      • Massachusetts
      • New York
      • Ohio
      • Pennsylvania
      • Rhode Island
      • Vermont
    • Northwestern U.S.A.
      • Oregon
      • Washington
    • South-central U.S.A.
      • Texas
    • Southeastern U.S.A.
      • Kentucky
      • Maryland
    • Southwestern U.S.A.
      • California
  • Pacific
    • Northwestern Pacific
      • Caroline Islands
      • Marianas
      • Marshall Islands
    • South-central Pacific
      • Easter Island
    • Southwestern Pacific
      • New Caledonia
  • Southern America
    • Caribbean
      • Trinidad-Tobago
    • Central America
      • Costa Rica
      • El Salvador
      • Guatemala
    • Southern South America
      • Chile South
      • Juan Fernández Islands
    • Western South America
      • Ecuador

Links to other databases Top

Suggest others/fix!
Database ID/link to page
World Flora Online wfo-0000571350
Canadensys 3924
USDA Plants BROL
Tropicos 4100070
INPN 86406
Flora of Italy 1637
KEW urn:lsid:ipni.org:names:279435-1
The Plant List kew-2682457
Open Tree Of Life 833642
Observations.org 418952
NCBI Taxonomy 3712
NBN Atlas NBNSYS0000002800
Nature Serve 2.138197
IUCN Red List 170110
IPNI 279435-1
iNaturalist 54516
GBIF 3042845
Freebase /m/04ylr2
EPPO BRSOX
EOL 583899
Elurikkus 3172
Calflora (Californian flora) 9040
USDA GRIN 7668
Wikipedia Brassica_oleracea
CMAUP NPO7576.2
Plantarium 6828

Genomes (via NCBI) Top

Below is displayed the reference genome only!
If you wish to browse all genomes for this plant click here.
Accession Assembly
Name Level Submitter Released Coverage Size
GCF_000695525.1 BOL Chromosome CanSeq 2014-05-27 94.0x 465.96 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.
Title Authors Publication Released IDs
Origin, evolution, and diversification of inositol 1,4,5-trisphosphate 3-kinases in plants and animals Xiong T, Zhang Z, Fan T, Ye F, Ye Z BMC Genomics 08-Apr-2024
PMCID:PMC11000326
doi:10.1186/s12864-024-10257-7
PMID:38589807
Agrobacterium-Mediated Transient Gene Expression Optimized for the Bioenergy Crop Camelina sativa Kumar P, Banday ZZ, Riley JL, Greenberg JT Bio Protoc 05-Apr-2024
PMCID:PMC11006800
doi:10.21769/BioProtoc.4964
PMID:38618179
Inhibition of corrosion on API 5L X52 pipeline steel in acid media by Tradescantia spathacea Rodríguez-Torres A, Valladares-Cisneros MG, Chávez-Díaz G, Martínez-Calzada V, Saldaña-Heredia A Front Chem 28-Mar-2024
PMCID:PMC11007708
doi:10.3389/fchem.2024.1372292
PMID:38606079
Bee-pollination promotes rapid divergent evolution in plants growing in different soils Dorey T, Schiestl FP Nat Commun 27-Mar-2024
PMCID:PMC10973342
doi:10.1038/s41467-024-46841-4
PMID:38538597
Phytosulfokine alpha enhances regeneration of transformed and untransformed protoplasts of Brassica oleracea Vogrinčič V, Kastelec D, Murovec J Front Plant Sci 27-Mar-2024
PMCID:PMC11004253
doi:10.3389/fpls.2024.1379618
PMID:38601308
Function and regulation of plant ARGONAUTE proteins in response to environmental challenges: a review Zaheer U, Munir F, Salum YM, He W PeerJ 26-Mar-2024
PMCID:PMC10979746
doi:10.7717/peerj.17115
PMID:38560454
UPLC-TQD-MS/MS Method Validation for Quality Control of Alkaloid Content in Lepidium meyenii (Maca)-Containing Food and Dietary Supplements Le NT, Foubert K, Theunis M, Naessens T, Bozdag M, Van Der Veken P, Pieters L, Tuenter E ACS Omega 26-Mar-2024
PMCID:PMC11007719
doi:10.1021/acsomega.3c09356
PMID:38617670
Curd, seed yield and disease resistance of cauliflower are enhanced by oligosaccharides Rajib MM, Sultana H, Gao J, Wang W, Yin H PeerJ 25-Mar-2024
PMCID:PMC10977091
doi:10.7717/peerj.17150
PMID:38549777
Green Extraction of Natural Colorants from Food Residues: Colorimetric Characterization and Nanostructuring for Enhanced Stability Lauria VB, Silva LP Foods 21-Mar-2024
PMCID:PMC10970246
doi:10.3390/foods13060962
PMID:38540952
Dissecting the Roles of the Cytokinin Signaling Network: The Case of De Novo Shoot Apical Meristem Formation Pokimica N, Ćosić T, Uzelac B, Ninković S, Raspor M Biomolecules 21-Mar-2024
PMCID:PMC10967827
doi:10.3390/biom14030381
PMID:38540799
Genome-Wide Analysis of the Xyloglucan Endotransglucosylase/Hydrolase (XTH) Gene Family: Expression Pattern during Magnesium Stress Treatment in the Mulberry Plant (Morus alba L.) Leaves Danso B, Ackah M, Jin X, Ayittey DM, Amoako FK, Zhao W Plants (Basel) 21-Mar-2024
PMCID:PMC10975095
doi:10.3390/plants13060902
PMID:38592929
Agroindustrial By-Products as a Source of Biostimulants Enhancing Responses to Abiotic Stress of Horticultural Crops Zuzunaga-Rosas J, Boscaiu M, Vicente O Int J Mol Sci 20-Mar-2024
PMCID:PMC10970935
doi:10.3390/ijms25063525
PMID:38542496
Vertebrate Pollination of Angiosperms in the Mediterranean Area: A Review Valdés B Plants (Basel) 20-Mar-2024
PMCID:PMC10976121
doi:10.3390/plants13060895
PMID:38592907
Genome-Wide Identification of LOX Gene Family and Its Expression Analysis under Abiotic Stress in Potato (Solanum tuberosum L.) Zhu J, Chen L, Li Z, Wang W, Qi Z, Li Y, Liu Y, Liu Z Int J Mol Sci 20-Mar-2024
PMCID:PMC10970340
doi:10.3390/ijms25063487
PMID:38542459
Unveiling Glucosinolate Diversity in Brassica Germplasm and In Silico Analysis for Determining Optimal Antioxidant Potential Iwar K, Desta KT, Ochar K, Kim SH Antioxidants (Basel) 19-Mar-2024
PMCID:PMC10968274
doi:10.3390/antiox13030376
PMID:38539909

Phytochemical Profile Top

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Below are displayed the proven (via scientific papers) natural compounds!
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Name PubChem ID Canonical SMILES MW Found in Proof
> Benzenoids / Benzene and substituted derivatives
Benzenepropanenitrile 12581 Click to see C1=CC=C(C=C1)CCC#N 131.17 unknown https://doi.org/10.1021/JF60209A053
Phenethyl isothiocyanate 16741 Click to see C1=CC=C(C=C1)CCN=C=S 163.24 unknown https://doi.org/10.1021/JF60209A053
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
Methyl 2,4,6-trihydroxybenzoate 76600 Click to see COC(=O)C1=C(C=C(C=C1O)O)O 184.15 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
3,4,5-Trihydroxybenzoate 54675821 Click to see C1=C(C=C(C(=C1O)[O-])O)C(=O)O 169.11 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Galloyl esters
Ethyl gallate 13250 Click to see CCOC(=O)C1=CC(=C(C(=C1)O)O)O 198.17 unknown via CMAUP database
> Benzenoids / Phenols / Benzenediols / Hydroquinones
Hydroquinone 785 Click to see C1=CC(=CC=C1O)O 110.11 unknown https://doi.org/10.1080/009841096161915
> Benzenoids / Phenols / Benzenetriols and derivatives / Pyrogallols and derivatives / 5-unsubstituted pyrrogallols
Pyrogallol 1057 Click to see C1=CC(=C(C(=C1)O)O)O 126.11 unknown via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Nonacosane 12409 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCC 408.80 unknown https://doi.org/10.1021/JF00089A034
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
Arachidate 5461017 Click to see CCCCCCCCCCCCCCCCCCCC(=O)[O-] 311.50 unknown via CMAUP database
Tetradecanoate 4075158 Click to see CCCCCCCCCCCCCC(=O)[O-] 227.36 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
(3E,9E)-undeca-3,9-dienoic acid 52914864 Click to see CC=CCCCCC=CCC(=O)O 182.26 unknown via CMAUP database
12-Deuteriododecanoic acid 11252659 Click to see CCCCCCCCCCCC(=O)O 201.32 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
Behenate 5460660 Click to see CCCCCCCCCCCCCCCCCCCCCC(=O)[O-] 339.60 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
(14R)-nonacosan-14-ol 154497101 Click to see CCCCCCCCCCCCCCCC(CCCCCCCCCCCCC)O 424.80 unknown https://doi.org/10.1016/S0031-9422(00)86457-2
Nonacosan-14-ol 13456528 Click to see CCCCCCCCCCCCCCCC(CCCCCCCCCCCCC)O 424.80 unknown https://doi.org/10.1016/S0031-9422(00)86457-2
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
9,12-Octadecadienoate 5867807 Click to see CCCCCC=CCC=CCCCCCCCC(=O)[O-] 279.40 unknown via CMAUP database
Octadeca-9,12,15-trienoic acid 5282822 Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O 278.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
(5S,6R)-3,5,6-trimethyl-2-[(3S,7R,10S)-3,7,10,15-tetramethylhexadecyl]cyclohex-2-en-1-one 162976170 Click to see CC1CC(=C(C(=O)C1C)CCC(C)CCCC(C)CCC(C)CCCCC(C)C)C 418.70 unknown https://doi.org/10.1007/BF00598400
(6S)-3,6-dimethyl-2-[(3S,7R,10S)-3,7,10,15-tetramethylhexadecyl]cyclohex-2-en-1-one 162890584 Click to see CC1CCC(=C(C1=O)CCC(C)CCCC(C)CCC(C)CCCCC(C)C)C 404.70 unknown https://doi.org/10.1007/BF00598400
3,5,6-Trimethyl-2-(3,7,10,15-tetramethylhexadecyl)cyclohex-2-en-1-one 162976169 Click to see CC1CC(=C(C(=O)C1C)CCC(C)CCCC(C)CCC(C)CCCCC(C)C)C 418.70 unknown https://doi.org/10.1007/BF00598400
3,6-Dimethyl-2-(3,7,10,15-tetramethylhexadecyl)cyclohex-2-en-1-one 162890583 Click to see CC1CCC(=C(C1=O)CCC(C)CCCC(C)CCC(C)CCCCC(C)C)C 404.70 unknown https://doi.org/10.1007/BF00598400
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids
Crocetin 5281232 Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O 328.40 unknown https://doi.org/10.1271/BBB1961.49.1211
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Prenylquinones / Polyprenylbenzoquinones
2,3-Dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl-2,5-cyclohexadiene-1,4-dione-2,3-dimethyl-5-solanesyl-1,4-benzoquinone 20286 Click to see CC1=C(C(=O)C(=CC1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C 749.20 unknown https://doi.org/10.1007/BF00598400
Plastoquinone 5375177 Click to see CC1=C(C(=O)C(=CC1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C 749.20 unknown https://doi.org/10.1007/BF00598400
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin K compounds
2-Methyl-3-(3,7,10,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione 162952631 Click to see CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCC(C)CCCCC(C)C 450.70 unknown https://doi.org/10.1007/BF00598400
2-methyl-3-[(E,7R,10S)-3,7,10,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione 163185728 Click to see CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCC(C)CCCCC(C)C 450.70 unknown https://doi.org/10.1007/BF00598400
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
methyl 1-[3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7-trihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate 163024739 Click to see CC(=O)OC1C(C(C(OC1OC2C3C(C(C(C3(C)O)O)O)C(=CO2)C(=O)OC)CO)O)O 464.40 unknown https://doi.org/10.1016/S0031-9422(00)88735-X
https://doi.org/10.1007/S00216-010-4129-2
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
Beta-Carotene 5280489 Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C 536.90 unknown https://doi.org/10.1021/JF980823W
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol 6433159 Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C 568.90 unknown https://doi.org/10.1021/JF980823W
Lutein 5,6-epoxide 5281244 Click to see CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C)(C)C)O 584.90 unknown https://doi.org/10.1021/JF980823W
Violaxanthin 448438 Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C 600.90 unknown https://doi.org/10.1021/JF980823W
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(25R)-5alpha-spirostan-3beta,6alpha-diol 52931478 Click to see CCC1C(CC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C)OC5(CCC(CO5)C)C 448.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 86821 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 414.70 unknown https://doi.org/10.1021/JF00089A034
24-Ethylcholest-5-en-3beta-ol 22012 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 414.70 unknown https://doi.org/10.1021/JF00089A034
> Organic acids and derivatives / Carbothioic S-acids
Pentadecanethioic acid 18413781 Click to see CCCCCCCCCCCCCCC(=O)S 258.50 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids
2-Azaniumyl-5-methylsulfanylpentanoate 25203616 Click to see CSCCCC(C(=O)[O-])[NH3+] 163.24 unknown via CMAUP database
S-Methyl-L-cysteine sulfoxide 182092 Click to see CS(=O)CC(C(=O)O)N 151.19 unknown https://doi.org/10.1111/J.1365-2621.1994.TB06964.X
https://doi.org/10.1021/JF00044A010
Selenocysteine 6326983 Click to see C(C(C(=O)O)N)[Se] 167.06 unknown https://doi.org/10.1021/JF00055A002
> 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-selenomethionine 105024 Click to see C[Se]CCC(C(=O)O)N 196.12 unknown https://doi.org/10.1021/JF00055A002
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Methionine and derivatives
(2S)-2-azaniumyl-4-(dimethylsulfaniumyl)butanoate 7098638 Click to see C[S+](C)CCC(C(=O)[O-])[NH3+] 164.25 unknown via CMAUP database
D-Methionine 84815 Click to see CSCCC(C(=O)O)N 149.21 unknown https://doi.org/10.1021/JF00055A002
Methionine 6137 Click to see CSCCC(C(=O)O)N 149.21 unknown https://doi.org/10.1021/JF00055A002
Methylmethionine sulfonium chloride 16217806 Click to see C[S+](C)CCC(C(=O)O)N.[Cl-] 199.70 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Amino acids and derivatives / Beta amino acids and derivatives
(-)-Dioxibrassinin 11807698 Click to see CSC(=S)NCC1(C2=CC=CC=C2NC1=O)O 268.40 unknown https://doi.org/10.1016/S0031-9422(00)98224-4
methyl N-[[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]methyl]carbamodithioate 53483538 Click to see CSC(=S)NCC1(C2=CC=CC=C2NC1=O)O 268.40 unknown https://doi.org/10.1016/S0031-9422(00)98224-4
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides
Glutathione 124886 Click to see C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N 307.33 unknown https://doi.org/10.1111/J.1365-2621.1995.TB05668.X
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
[(2S)-2-[(1S,3Z,7E,11R,12E,15S)-11,17-dihydroxy-1,4,8,12-tetramethyl-18-oxo-16-bicyclo[13.3.0]octadeca-3,7,12,16-tetraenyl]propyl] acetate 10599418 Click to see CC1=CCCC(=CCC2(C(CC=C(C(CC1)O)C)C(=C(C2=O)O)C(C)COC(=O)C)C)C 444.60 unknown via CMAUP database
> Organic nitrogen compounds / Organonitrogen compounds / Organic cyanides / Nitriles
5-(Methylsulfanyl)pentanenitrile 93320 Click to see CSCCCCC#N 129.23 unknown https://doi.org/10.1016/0031-9422(80)83055-X
Butanenitrile, 4-(methylthio)- 100962 Click to see CSCCCC#N 115.20 unknown https://doi.org/10.1016/0031-9422(80)83055-X
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
Chlorogenic Acid 1794427 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
1-Cyano-2-hydroxy-3-butene 91586 Click to see C=CC(CC#N)O 97.12 unknown https://doi.org/10.1021/JF60209A053
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glucosinolates / Alkylglucosinolates
(2S)-2-Hydroxy-3-butenyl-glucosinolate 12309644 Click to see C=CC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O 389.40 unknown https://doi.org/10.1021/JF970523Z
https://doi.org/10.1093/CARCIN/16.5.1191
https://doi.org/10.1002/JSFA.2740340308
[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-4-[(R)-methylsulfinyl]-N-sulfooxybutanimidothioate 154497820 Click to see CS(=O)CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 423.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2007.08.014
[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-5-[(R)-methylsulfinyl]-N-sulfooxypentanimidothioate 154497821 Click to see CS(=O)CCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 437.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2007.08.014
[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E,3S)-3-hydroxy-N-sulfooxypent-4-enimidothioate 159706773 Click to see C=CC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O 389.40 unknown https://doi.org/10.1016/J.PHYTOCHEM.2007.08.014
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-4-methylsulfanyl-N-sulfooxybutanimidothioate 162086123 Click to see CSCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 407.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2007.08.014
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxybut-3-enimidothioate 154497469 Click to see C=CCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 359.40 unknown https://doi.org/10.1016/J.PHYTOCHEM.2007.08.014
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z,3R)-3-hydroxy-N-sulfooxypent-4-enimidothioate 154497281 Click to see C=CC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O 389.40 unknown https://doi.org/10.1016/J.PHYTOCHEM.2007.08.014
[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-sulfooxypent-4-enimidothioate 160243631 Click to see C=CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 373.40 unknown https://doi.org/10.1016/J.PHYTOCHEM.2007.08.014
[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-5-methylsulfanyl-N-sulfooxypentanimidothioate 154496675 Click to see CSCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 421.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2007.08.014
[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-3-phenyl-N-sulfooxypropanimidothioate 154495984 Click to see C1=CC=C(C=C1)CCC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O 423.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2007.08.014
[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(1-methoxyindol-3-yl)-N-sulfooxyethanimidothioate 160231225 Click to see CON1C=C(C2=CC=CC=C21)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O 478.50 unknown https://doi.org/10.3891/ACTA.CHEM.SCAND.16-1378
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-hydroxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate 5486562 Click to see C1=CC2=C(C(=C1)O)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O 464.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2039843/
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(5-hydroxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate 102455325 Click to see C1=CC2=C(C=C1O)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O 464.50 unknown https://doi.org/10.1016/0031-9422(83)85019-5
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-5-[(S)-methylsulfinyl]-N-sulfooxypentanimidothioate 92854240 Click to see CS(=O)CCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 437.50 unknown https://doi.org/10.1021/JF060154J
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-3-(2,3,4,5,6-pentadeuteriophenyl)-N-sulfooxypropanimidothioate 11611665 Click to see C1=CC=C(C=C1)CCC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O 428.50 unknown via CMAUP database
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-4-methylsulfanyl-N-sulfooxybutanimidothioate 5748606 Click to see CSCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 407.50 unknown https://doi.org/10.1016/S0031-9422(99)00165-X
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E,1Z)-5-methylsulfinyl-N-sulfooxypent-4-enimidothioate 20843335 Click to see CS(=O)C=CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 435.50 unknown https://doi.org/10.1016/S0278-6915(02)00278-8
[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-sulfooxyhex-5-enimidothioate 154496670 Click to see C=CCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 387.40 unknown https://doi.org/10.1016/J.PHYTOCHEM.2007.08.014
[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E,3R)-3-hydroxy-N-sulfooxypent-4-enimidothioate 9576240 Click to see C=CC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O 389.40 unknown via CMAUP database
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-4-methylsulfinyl-N-sulfooxybutanimidothioate 15560239 Click to see CS(=O)CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 423.50 unknown https://doi.org/10.1016/S0278-6915(02)00278-8
https://doi.org/10.1016/S0031-9422(99)00165-X
https://doi.org/10.1002/JSFA.2740340308
https://doi.org/10.1093/CARCIN/16.5.1191
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1-methoxyindol-3-yl)-N-sulfooxyethanimidothioate 4480094 Click to see CON1C=C(C2=CC=CC=C21)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O 478.50 unknown https://doi.org/10.1021/JF001256R
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(5-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate 163083717 Click to see COC1=CC2=C(C=C1)NC=C2CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O 478.50 unknown https://doi.org/10.1016/0031-9422(83)85019-5
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-phenyl-N-sulfooxypropanimidothioate 4379664 Click to see C1=CC=C(C=C1)CCC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O 423.50 unknown https://doi.org/10.1016/J.FOODCHEM.2014.01.062
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-methylsulfinyl-N-sulfooxypentanimidothioate 4479912 Click to see CS(=O)CCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 437.50 unknown https://doi.org/10.1021/JF060154J
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-sulfooxybut-3-enimidothioate 417411 Click to see C=CCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 359.40 unknown https://doi.org/10.1021/JF060154J
1-S-[2-(1-sulfo-1H-indol-3-yl)-N-(sulfonatooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose 9601102 Click to see C1=CC=C2C(=C1)C(=CN2S(=O)(=O)O)CC(=NOS(=O)(=O)[O-])SC3C(C(C(C(O3)CO)O)O)O 527.50 unknown via CMAUP database
3-Indolylmethyl glucosinolate 6602378 Click to see C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O 448.50 unknown https://doi.org/10.1021/JF00073A010
https://doi.org/10.1002/JSFA.2740340308
https://doi.org/10.1016/S0031-9422(00)81740-9
https://doi.org/10.1016/0031-9422(83)85019-5
4-Methoxyglucobrassicin 9576738 Click to see COC1=CC=CC2=C1C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O 478.50 unknown https://doi.org/10.1002/JSFA.2740340308
4-Methylsulfinylbutyl glucosinolate 9548634 Click to see CS(=O)CCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 437.50 unknown https://doi.org/10.1016/S0031-9422(00)81740-9
https://doi.org/10.1002/JSFA.2740340308
4-Ohimg 9576741 Click to see C1=CC2=C(C(=C1)O)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O 464.50 unknown https://doi.org/10.1002/JSFA.2740340308
https://doi.org/10.1016/J.PHYTOCHEM.2007.08.014
4-Pentenylglucosinolate 9548628 Click to see C=CCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 387.40 unknown https://doi.org/10.1016/S0031-9422(00)81740-9
But-3-enylglucosinolate 14390048 Click to see C=CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 373.40 unknown https://doi.org/10.1016/S0278-6915(02)00278-8
https://doi.org/10.1093/CARCIN/16.5.1191
Glucobrassicin 9601691 Click to see C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O 448.50 unknown https://doi.org/10.1016/0031-9422(83)85019-5
https://doi.org/10.1016/S0031-9422(99)00165-X
https://doi.org/10.1021/JF00073A010
https://doi.org/10.1093/CARCIN/16.5.1191
https://doi.org/10.1002/JSFA.2740340308
https://doi.org/10.1016/S0031-9422(00)81740-9
Glucoerucin(RG) 9548895 Click to see CSCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 421.50 unknown via CMAUP database
Glucoiberin 9548622 Click to see CS(=O)CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 423.50 unknown https://doi.org/10.1016/S0031-9422(00)81740-9
https://doi.org/10.1002/JSFA.2740340308
Glucoibervirin 9548638 Click to see CSCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 407.50 unknown https://doi.org/10.1016/S0031-9422(00)81740-9
Gluconapin 9548620 Click to see C=CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 373.40 unknown https://doi.org/10.1016/S0031-9422(00)81740-9
Glucopyranose, 1-thio-, 1-(5-(methylsulfonyl)valerohydroximate) NO-(hydrogen sulfate), monopotassium salt, beta-D- 9548639 Click to see CS(=O)(=O)CCCCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O 452.50 unknown via CMAUP database
Glucorafanin 76957235 Click to see CS(=O)CCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 437.50 unknown https://doi.org/10.1016/S0278-6915(02)00278-8
https://doi.org/10.1021/JF0013860
https://doi.org/10.1002/JSFA.2740340308
Glucoraphanin(1-) 9548633 Click to see CS(=O)CCCCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O 436.50 unknown via CMAUP database
Glucosinalbin 9601115 Click to see C1=CC(=CC=C1CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O)O 425.40 unknown https://doi.org/10.1016/S0278-6915(02)00278-8
Neoglucobrassicin 9576416 Click to see CON1C=C(C2=CC=CC=C21)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O 478.50 unknown https://doi.org/10.1016/S0031-9422(99)00165-X
https://doi.org/10.1002/JSFA.2740340308
Neoglucobrassicin anion 20843321 Click to see CON1C=C(C2=CC=CC=C21)CC(=NOS(=O)(=O)[O-])SC3C(C(C(C(O3)CO)O)O)O 477.50 unknown via CMAUP database
Progoitrin 4480096 Click to see C=CC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O 389.40 unknown https://doi.org/10.1007/S11103-012-9905-2
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5815982/
R-2-Hydroxy-3-butenyl glucosinolate 9548893 Click to see C=CC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O 389.40 unknown https://doi.org/10.1021/JF970523Z
Sinigrin 6911854 Click to see C=CCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O 359.40 unknown https://doi.org/10.1021/JF970523Z
https://doi.org/10.1016/S0278-6915(02)00278-8
https://doi.org/10.1016/J.FOODCHEM.2013.08.010
https://doi.org/10.1021/JF060154J
https://doi.org/10.1016/S0031-9422(99)00165-X
https://doi.org/10.1111/PPL.12082
https://doi.org/10.1111/J.1365-2621.1995.TB05628.X
https://doi.org/10.1093/CARCIN/16.5.1191
https://doi.org/10.1080/00015126809435015
https://doi.org/10.1111/J.1365-2621.1996.TB14735.X
https://doi.org/10.1002/JSFA.2740340308
https://doi.org/10.1016/S0031-9422(00)81740-9
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
14-Nonacosanone 85787187 Click to see CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC 422.80 unknown https://doi.org/10.1016/S0031-9422(00)86457-2
Nonacosan-15-one 75997 Click to see CCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCC 422.80 unknown https://doi.org/10.1021/JF00089A034
https://doi.org/10.1016/S0031-9422(00)86457-2
> Organic oxygen compounds / Organooxygen compounds / Ethers / Dialkyl ethers
2-Methoxy-1-propanol 14846 Click to see CC(CO)OC 90.12 unknown https://doi.org/10.1021/JF980823W
> Organoheterocyclic compounds / Azolidines / Oxazolidines
Epigoitrin 3032313 Click to see C=CC1CNC(=S)O1 129.18 unknown https://doi.org/10.1007/BF01042410
https://doi.org/10.1021/JF60209A053
Goitrin 7568320 Click to see C=CC1CNC(=S)O1 129.18 unknown https://doi.org/10.1007/BF01042410
https://doi.org/10.1021/JF60209A053
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthones
1,8-Dihydroxy-2,6-dimethoxy-9H-xanthen-9-one 5281653 Click to see COC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)OC)O 288.25 unknown via CMAUP database
> Organoheterocyclic compounds / Bi- and oligothiophenes
5-(3-Buten-1-ynyl)-2,2'-bithiophene 70813 Click to see C=CC#CC1=CC=C(S1)C2=CC=CS2 216.30 unknown via CMAUP database
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
Ascorbic Acid 54670067 Click to see C(C(C1C(=C(C(=O)O1)O)O)O)O 176.12 unknown https://doi.org/10.1111/J.1745-4557.1992.TB00977.X
> Organoheterocyclic compounds / Indoles and derivatives / Indolecarboxylic acids and derivatives
Indole-3-carboxylic acid 69867 Click to see C1=CC=C2C(=C1)C(=CN2)C(=O)O 161.16 unknown https://doi.org/10.1021/NP50055A020
> Organoheterocyclic compounds / Indoles and derivatives / Indolecarboxylic acids and derivatives / Indolecarboxamides and derivatives
Methoxybrassenin B 15145690 Click to see CON1C=C(C2=CC=CC=C21)C(=O)N=C(SC)SC 294.40 unknown https://doi.org/10.1016/0031-9422(91)83435-N
> Organoheterocyclic compounds / Indoles and derivatives / Indoles
1-Methoxyindole-3-carbaldehyde 398554 Click to see CON1C=C(C2=CC=CC=C21)C=O 175.18 unknown https://doi.org/10.1016/0031-9422(91)83435-N
https://doi.org/10.1021/JF00078A011
Brassicanal A 443054 Click to see CSC1=C(C2=CC=CC=C2N1)C=O 191.25 unknown https://doi.org/10.1016/S0031-9422(00)98224-4
Brassicanal C 11954907 Click to see COS(=O)C1=C(C2=CC=CC=C2N1)C=O 223.25 unknown https://doi.org/10.1016/S0031-9422(00)98224-4
Indole-3-carboxaldehyde 10256 Click to see C1=CC=C2C(=C1)C(=CN2)C=O 145.16 unknown https://doi.org/10.1021/NP50055A020
https://doi.org/10.1016/0031-9422(91)83690-M
methyl (S)-3-formyl-1H-indole-2-sulfinate 131847458 Click to see COS(=O)C1=C(C2=CC=CC=C2N1)C=O 223.25 unknown https://doi.org/10.1016/S0031-9422(00)98224-4
> Organoheterocyclic compounds / Indoles and derivatives / Indoles / 3-alkylindoles
2-(1H-indol-3-yl)acetaldehyde 800 Click to see C1=CC=C2C(=C1)C(=CN2)CC=O 159.18 unknown via CMAUP database
3-Indoleacetonitrile 351795 Click to see C1=CC=C2C(=C1)C(=CN2)CC#N 156.18 unknown https://doi.org/10.1021/JF00073A010
https://doi.org/10.1248/BPB.16.207
https://doi.org/10.1016/S0040-4039(97)10213-1
4-Methoxybrassinin 11010948 Click to see COC1=CC=CC2=C1C(=CN2)CNC(=S)SC 266.40 unknown https://doi.org/10.1016/0031-9422(90)80108-S
Brassinin 3035211 Click to see CSC(=S)NCC1=CNC2=CC=CC=C21 236.40 unknown https://doi.org/10.1016/0031-9422(90)80108-S
Cyclobrassinin 184579 Click to see CSC1=NCC2=C(S1)NC3=CC=CC=C23 234.30 unknown https://doi.org/10.1016/0031-9422(90)80108-S
Indole-3-carbinol 3712 Click to see C1=CC=C2C(=C1)C(=CN2)CO 147.17 unknown https://doi.org/10.1021/JF00073A010
Methoxybrassenin A 101618767 Click to see CON1C=C(C2=CC=CC=C21)CN=C(SC)SC 280.40 unknown https://doi.org/10.1016/0031-9422(91)83435-N
Methoxybrassinin 3037463 Click to see CON1C=C(C2=CC=CC=C21)CNC(=S)SC 266.40 unknown https://doi.org/10.1016/0031-9422(91)83435-N
https://doi.org/10.1016/0031-9422(90)80108-S
Methoxybrassitin 13993677 Click to see CON1C=C(C2=CC=CC=C21)CNC(=O)SC 250.32 unknown https://doi.org/10.1016/0031-9422(90)80108-S
> Organoheterocyclic compounds / Indoles and derivatives / Indolines
(-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one 11658413 Click to see C1=CC=C2C(=C1)C(C(=O)N2)(CC#N)O 188.18 unknown https://doi.org/10.1016/S0031-9422(00)98224-4
(+)-(r)-3-Cyanomethyl-3-hydroxyoxindole 101797114 Click to see C1=CC=C2C(=C1)C(C(=O)N2)(CC#N)O 188.18 unknown https://doi.org/10.1016/S0031-9422(00)98224-4
(3R)-2'-methylsulfanylspiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one 101600278 Click to see CSC1=NCC2(S1)C3=CC=CC=C3NC2=O 250.30 unknown https://doi.org/10.1016/0031-9422(90)80108-S
(S)-Spirobrassinin 6424827 Click to see CSC1=NCC2(S1)C3=CC=CC=C3NC2=O 250.30 unknown https://doi.org/10.1016/0031-9422(90)80108-S
Spirobrassinin 188830 Click to see CSC1=NCC2(S1)C3=CC=CC=C3NC2=O 250.30 unknown https://doi.org/10.1016/0031-9422(90)80108-S
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
CID 162977223 162977223 Click to see CC1CC2(C(CC(C3(C2=C)CO3)OC(=O)C)C(=O)C14CC(OC4=O)C5=COC=C5)O 416.40 unknown https://doi.org/10.1271/BBB1961.49.1211
https://doi.org/10.1021/JF980823W
> Organoheterocyclic compounds / Pyridines and derivatives / Pyrrolidinylpyridines
3-(1-Methylpyrrolidin-2-yl)pyridine 942 Click to see CN1CCCC1C2=CN=CC=C2 162.23 unknown https://doi.org/10.1056/NEJM199308053290619
> Organoheterocyclic compounds / Pyrrolidines
N-Nitrosopyrrolidine 13591 Click to see C1CCN(C1)N=O 100.12 unknown https://doi.org/10.1016/0304-3835(90)90092-C
> Organoheterocyclic compounds / Tetrapyrroles and derivatives
methyl (3R,21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-22-[3-oxo-3-[(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaene-3-carboxylate 136706892 Click to see CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(=O)OC)O)C)C 871.20 unknown https://doi.org/10.1021/JF00089A034
> Organoheterocyclic compounds / Tetrapyrroles and derivatives / Chlorins
methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaene-3-carboxylate 5459387 Click to see CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C5=C6C(=C(C(=N6)C=C1N2)C)C(=O)C5C(=O)OC)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C=C)C 871.20 unknown https://doi.org/10.1021/JF00089A034
methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaene-3-carboxylate 6433193 Click to see CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C5=C6C(=C(C(=N6)C=C1N2)C)C(=O)C5C(=O)OC)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C=C)C 871.20 unknown https://doi.org/10.1016/0165-7992(83)90156-2
> Organoheterocyclic compounds / Thiiranes / Epithionitriles
2-[(2S)-thiiran-2-yl]acetonitrile 162870482 Click to see C1C(S1)CC#N 99.16 unknown https://doi.org/10.1016/0031-9422(80)83055-X
Thiiraneacetonitrile 148821 Click to see C1C(S1)CC#N 99.16 unknown https://doi.org/10.1016/0031-9422(80)83055-X
> Organosulfur compounds / Isothiocyanates
3-(Methylthio)propyl isothiocyanate 62351 Click to see CSCCCN=C=S 147.30 unknown https://doi.org/10.1016/0031-9422(80)83055-X
3-Butenyl isothiocyanate 76922 Click to see C=CCCN=C=S 113.18 unknown https://doi.org/10.1016/0031-9422(80)83055-X
https://doi.org/10.1021/JF60209A053
Allyl isothiocyanate 5971 Click to see C=CCN=C=S 99.16 unknown https://doi.org/10.1111/J.1365-2621.1996.TB14735.X
https://doi.org/10.1016/0031-9422(80)83055-X
https://doi.org/10.1021/JF60209A053
Butenyl isothiocyanate 6439701 Click to see CCC=CN=C=S 113.18 unknown via CMAUP database
Erucin 78160 Click to see CSCCCCN=C=S 161.30 unknown https://doi.org/10.1016/0031-9422(80)83055-X
> Organosulfur compounds / Organic trisulfides
6-ethenyl-4H-trithiine 5315241 Click to see C=CC1=CCSSS1 162.30 unknown via CMAUP database
> Organosulfur compounds / Sulfonyls
S-Methyl methanethiosulfonate 18064 Click to see CSS(=O)(=O)C 126.20 unknown https://doi.org/10.1248/BPB.16.207
> Organosulfur compounds / Sulfoxides
(S)-sulforaphane 10419733 Click to see CS(=O)CCCCN=C=S 177.30 unknown https://doi.org/10.1016/J.PHYMED.2006.09.013
4-(Methylsulfinyl)butanenitrile 100579 Click to see CS(=O)CCCC#N 131.20 unknown https://doi.org/10.1111/J.1365-2621.1997.TB12221.X
Iberin 10455 Click to see CS(=O)CCCN=C=S 163.30 unknown via CMAUP database
Pentanenitrile, 5-(methylsulfinyl)- 543743 Click to see CS(=O)CCCCC#N 145.23 unknown https://doi.org/10.1111/J.1365-2621.1997.TB12221.X
https://doi.org/10.1021/JF970572B
https://doi.org/10.1021/JF0013860
Sulforaphane 5350 Click to see CS(=O)CCCCN=C=S 177.30 unknown https://doi.org/10.1055/S-2008-1074520
https://doi.org/10.1111/J.1365-2621.1997.TB12221.X
https://doi.org/10.1021/JF0013860
https://doi.org/10.1021/JF970572B
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives
Sinapoyl spermidine 129847081 Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)NCCCCNCCCN 351.40 unknown https://doi.org/10.1007/S00216-010-4129-2
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
Sinapine 5280385 Click to see C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC 310.36 unknown https://doi.org/10.21273/JASHS.118.4.546
trans-Sinapate 54710960 Click to see COC1=CC(=CC(=C1[O-])OC)C=CC(=O)O 223.20 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
Caffeic Acid 689043 Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O 180.16 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259264/
https://doi.org/10.1021/JF504929M
Ferulic acid 445858 Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O 194.18 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259264/
https://doi.org/10.1016/S0031-9422(00)85977-4
https://doi.org/10.1021/JF00067A013
p-Coumaric acid 637542 Click to see C1=CC(=CC=C1C=CC(=O)O)O 164.16 unknown https://doi.org/10.1016/S0031-9422(00)85977-4
Sinapinic acid 637775 Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O 224.21 unknown https://doi.org/10.1016/S0031-9422(00)85977-4
> Phenylpropanoids and polyketides / Coumarins and derivatives
Scoparone 8417 Click to see COC1=C(C=C2C(=C1)C=CC(=O)O2)OC 206.19 unknown via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
Scopoletin 5280460 Click to see COC1=C(C=C2C(=C1)C=CC(=O)O2)O 192.17 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
Amentoflavone 5281600 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O 538.50 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-) 25201972 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)[O-] 285.23 unknown via CMAUP database
Kaempferol oxoanion 25202062 Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)[O-])O 285.23 unknown via CMAUP database
Quercetin-7-olate 46906036 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)[O-])O)O 301.23 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Kaempferol 5280863 Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O 286.24 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259264/
https://doi.org/10.1021/JF00062A017
Quercetin 5280343 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O 302.23 unknown https://doi.org/10.1021/JF00062A017
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-5-O-glycosides
Cyanidin 3-sophoroside 5-glucoside 131752380 Click to see C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O 773.70 unknown https://doi.org/10.1016/S0031-9422(00)85977-4
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one 14185727 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)OC5C(C(C(C(O5)CO)O)O)O)O)O 626.50 unknown https://doi.org/10.3109/10715769709065782
4-[5,7-dihydroxy-4-oxo-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-2-hydroxyphenolate 54758589 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)[O-] 463.40 unknown via CMAUP database
Quosp 5282166 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)OC5C(C(C(C(O5)CO)O)O)O)O)O 626.50 unknown https://doi.org/10.3109/10715769709065782
Sophoraflavonoloside 5282155 Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O 610.50 unknown https://doi.org/10.3109/10715769709065782
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
Luteolin 7-galactoside 5291488 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O 448.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isocoumarins and derivatives
Brevifolin[Geranium] 10131135 Click to see C1CC(=O)C2=C1C3=C(C(=C(C=C3C(=O)O2)O)O)O 248.19 unknown via CMAUP database
Brevifolincarboxylic acid 9838995 Click to see C1C(C2=C(C1=O)OC(=O)C3=CC(=C(C(=C32)O)O)O)C(=O)O 292.20 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Coumestans
Glycyrol 5320083 Click to see CC(=CCC1=C(C2=C(C=C1O)OC(=O)C3=C2OC4=C3C=CC(=C4)O)OC)C 366.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
Ellagic Acid 5281855 Click to see C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O 302.19 unknown via CMAUP database

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