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Cichorium intybus

Cichorium intybus - Unknown
Part: Unknown
Author: Public Domain - WikiMedia
Cichorium intybus - Unknown
Part: Unknown
Author: Public Domain - WikiMedia
Cichorium intybus - Unknown
Part: Unknown
Author: Public Domain - WikiMedia
Cichorium intybus - Unknown
Part: Unknown
Author: Public Domain - WikiMedia
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Table of Contents

Details
Description
Synonyms
Common Names
Subtypes (subspecies, varieties, subvarieties, forms)
Germination/Propagation
Distribution
Links to other databases
Genome
Scientific Literature
Phytochemical Profile
Biological Material
Contributors
Collections

Details Top

Internal ID UUID643fce5b332b2360659774
Scientific name Cichorium intybus
Authority L.
First published in Sp. Pl. : 813 (1753)

Description Top

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No description added yet. Help us by writing one.

Synonyms Top

Scientific name Authority First published in
Cichorium commune Pall. Reise Russ. Reich. 3(2): 655 (1776)
Cichorium perenne Stokes Bot. Mat. Med. 4: 133 (1812)
Cichorium cosnia Buch.-Ham. Numer. List : n.° 3241 (1831)
Cichorium glabratum C.Presl Fl. Sicul. 1: 32 (1826)
Cichorium divaricatum Heldr. ex Nyman Consp. Fl. Eur. 2: 472 (1879)
Cichorium byzantinum Clem. Mem. Reale Accad. Sci. Torino ser. 2, 16: 285. 1857
Cichorium officinale Gueldenst. ex Ledeb. Fl. Ross. 2(2,7): 774 (1846)
Cichorium intybus f. sativum Bisch. Beitr. Fl. Deutschl. : 26 (1851)
Cichorium rigidum Salisb. Prodr. Stirp. Chap. Allerton : 183 (1796)
Cichorium intybus f. sylvestre Bisch. Beitr. Fl. Deutschl. : 25 (1851)
Cichorium byzantinum Clementi G.C. Clementi in Mem. Reale Accad. Sci. Torino, ser. 2 16. 1857 285 1857
Cichorium illyricum borb.
Cichorium intybus subsp. illyricum (borb.) Jáv.
Cichorium casnia Wall. N. Wallich, Numer. List 3241
Cichorium callosum Pomel Nouv. Mat. Fl. Atl. : 17 (1874)
Cichorium intybus subsp. glabratum (C.Presl) Wagenitz & U.Bedarff Davis & Hedge Festschrift 12 (1989): (1989)
Cichorium intybus var. glabrum (C.Presl) Gren. & Godr. Fl. France 2: 286 (1850)
Hieracium cichorium E.H.L.Krause Deutschl. Fl. (Sturm), ed. 2. 14: 182 (1906)
Cichorium hirsutum Gren. Acad. Sci. Besançon, Séance Publique : 137 (1838)
Cichorium intybus subsp. intybus L.
Cichorium sylvestre Garsault Fig. Pl. Méd. 2: t. 222 (1764)
Cichorium casnia C.B.Clarke Compos. Ind. : 250 (1876)
Cichorium intybus var. glabratum (C.Presl) Batt.
Cichorium cicorea Dumort. Fl. Belg. : 64 (1827)
Cichorium balearicum Porta Nuovo Giorn. Bot. Ital. 19: 311 (1887)
Cichorium intybus var. callosum (Pomel) Maire Bull. Soc. Hist. Nat. Afrique N. 30: 288 (1939)
Cichorium intybus subsp. glabratum (C.Presl) Arcang. Comp. Fl. Ital. [Arcangeli] 413. 1882 [Jan-Apr 1882]
Cichorium intybus subsp. sativum (Bisch.) Janch. Phyton (Horn) : 8 (1959)
Cichorium intybus subsp. foliosum (Hegi) Janch. Janch. in Phyton (Horn) 8. 1959. 240 1959
Cichorium intybus var. sativum (Bisch.) Janch.
Cichorium intybus subsp. glaucum (Hoffmanns. & Link) Tzvelev Fl. URSR 29: 17 (1964)
Cichorium intybus var. longipes Faure & Maire
Cichorium glaucum Hoffmanns. & Link Fl. Portug. 2: 178 (1825-1828)
Cichorium intybus var. radicosum Alef.
Cichorium intybus var. callosum (Pomel) Batt.
Cichorium intybus var. foliosum Hegi
Cichorium intybus subsp. sylvestre (Bisch.) Janch.
Cichorium intybus f. crispum Makino Somoku-Dzusetsu , ed. 3, 3: 1015 (1912)
Cichorium caeruleum Gilib. Fl. Lit. Inch. i. 224 (1782)
Cichorium intybus f. alba Farw. Pap. Michigan Acad. Sci. 3: 108 (1924)
Cichorium intybus f. rubicunda Farw. Pap. Michigan Acad. Sci. 3: 108 (1924)
Cichorium sylvestre Lam. Fl. Franç. 2: 120 (1779)
Cichorium intybus var. glabratum (C.Presl) Gren. & Godr. Fl. Franc. 2: 286 1850
Cichorium intybus subsp. balearica (Porta) Gand. Nov. Consp. Fl. Eur. : 314 (1910)
Cichorium intybus var. eglandulosum Freyn & Sint. Oesterr. Bot. Z. 44: 259 1894

Common names Top

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Language Common/alternative name
English chicory
English common chicory
Afrikaans sigorei
Arabic هندباء برية
Azerbaijani adi kasnı
azb عادی کاسنی
ba цикорий
ba Быуын үләне
Belarusian Цыкорыя звычайная
Bulgarian Синя жлъчка
Catalan xicoira
co erba amara
Czech čekanka obecná
cv Сив курăкĕ
Welsh ysgellog
Danish almindelig cikorie
German gewöhnliche wegwarte
German gemeine wegwarte
German chicorée
Greek Κιχώριο το εντετμημένο
Greek ραδίκι
Greek Κιχώριο το ίντυβο
Esperanto amara cikorio
Estonian harilik sigur
Basque txikoria
Persian کاسنی دشتی
Finnish sikuri
French chicorée sauvage
Irish siocaire
Galician chicoria
gn achikória
Hebrew עולש
Hindi कासनी
Croatian cikorija
Upper Sorbian wšědna změrniwka
Hungarian mezei katáng
io cikorio
Icelandic kaffifífill
Italian cicoria comune
Japanese チコリー
Kabyle timerẓuga
Kabyle timerzuga
Kazakh Кәдімгі шашырақты
Korean 치커리
Lithuanian paprastoji trūkažolė
Latvian parastais cigoriņš
Macedonian голица
Macedonian цикорија
Malayalam ചിക്കറി
Malay cikori
Burmese ချီကိုရီ
nap cëcòria
Norwegian Bokmål sikori
Dutch wilde cichorei
os Куыдзыдзæхæра
Punjabi ਕਾਸ਼ਨੀ
pcd chicoerèie soevåjhe
Polish cykoria podróżnik
Punjab کاسنی بوٹی
Pashto تریز
Portuguese chicória
rki ချီကိုရီ
Romanian cicoare
Russian цикорий обыкновенный
sc cicoria
sd ڪاسني
Samogitian cikuorėjė
Serbo-Croatian cikorija
Slovak čakanka obyčajná
Slovenian navadni potrošnik
Albanian bresa
Serbian Цикорија
stq sokkerai
Swedish cikoria
Tamil சிக்கரி
tg Коснӣ
Turkish beyaz hindiba
Ukrainian Петрові батоги звичайні
Urdu کاسنی
vep cikorii
vls chikoung
Chinese 菊苣
Chinese 菊苣子
Chinese 菊苣根

Subspecies (abbr. subsp./ssp.) Top

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Name Authority First published in
Cichorium intybus subsp. spicatum I.Ricci Willdenowia 37(1): 142 (2007)

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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No germination or propagation data was added yet.

Distribution (via POWO/KEW) Top

Legend for the distribution data:
- Doubtful data
- Extinct
- Introduced
- Native
  • Africa
    • Macaronesia
      • Azores
      • Cape Verde
    • Northeast Tropical Africa
      • Ethiopia
    • Northern Africa
      • Algeria
      • Egypt
      • Libya
      • Morocco
      • Tunisia
      • Western Sahara
    • South Tropical Africa
      • Zimbabwe
    • Southern Africa
      • Cape Provinces
      • Free State
      • Kwazulu-Natal
      • Lesotho
      • Northern Provinces
      • Swaziland
    • West Tropical Africa
      • Mauritania
    • West-central Tropical Africa
      • Gulf Of Guinea Islands
      • Zaïre
    • Western Indian Ocean
      • Madagascar
      • Mauritius
      • Réunion
  • Asia-temperate
    • Arabian Peninsula
      • Gulf States
      • Kuwait
      • Oman
      • Saudi Arabia
      • Yemen
    • Caucasus
      • North Caucasus
      • Transcaucasus
    • China
      • China North-central
      • China South-central
      • China Southeast
      • Hainan
      • Inner Mongolia
      • Manchuria
      • Qinghai
      • Tibet
      • Xinjiang
    • Eastern Asia
      • Taiwan
    • Middle Asia
      • Kazakhstan
      • Kirgizstan
      • Tadzhikistan
      • Turkmenistan
      • Uzbekistan
    • Mongolia
      • Mongolia
    • Russian Far East
      • Kamchatka
      • Khabarovsk
      • Kuril Islands
      • Primorye
      • Sakhalin
    • Siberia
      • Altay
      • Buryatiya
      • Irkutsk
      • Krasnoyarsk
      • West Siberia
    • Western Asia
      • Afghanistan
      • Cyprus
      • East Aegean Islands
      • Iran
      • Iraq
      • Lebanon-Syria
      • Palestine
      • Sinai
      • Turkey
  • Asia-tropical
    • Indian Subcontinent
      • Bangladesh
      • India
      • Pakistan
      • West Himalaya
    • Indo-China
      • Cambodia
      • Laos
      • Myanmar
      • Thailand
      • Vietnam
    • Malesia
      • Borneo
      • Jawa
      • Lesser Sunda Islands
      • Malaya
      • Philippines
      • Sulawesi
      • Sumatera
  • Australasia
    • Australia
      • New South Wales
      • Northern Territory
      • Queensland
      • South Australia
      • Tasmania
      • Victoria
      • Western Australia
    • New Zealand
      • 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
      • Austria
      • Belgium
      • Czechoslovakia
      • Germany
      • Hungary
      • Netherlands
      • Poland
      • Switzerland
    • Northern Europe
      • Denmark
      • Finland
      • Great Britain
      • Ireland
      • Norway
      • Sweden
    • Southeastern Europe
      • Albania
      • Bulgaria
      • Greece
      • Italy
      • Kriti
      • Romania
      • Sicilia
      • Turkey-in-Europe
      • Yugoslavia
    • Southwestern Europe
      • Baleares
      • Corse
      • France
      • Portugal
      • Sardegna
      • Spain
  • Northern America
    • Eastern Canada
      • Labrador
      • New Brunswick
      • Newfoundland
      • Nova Scotia
      • Ontario
      • Prince Edward Island
      • Québec
    • Mexico
      • Mexico Central
      • Mexico Gulf
      • Mexico Northeast
      • Mexico Northwest
      • Mexico Southeast
    • North-central U.S.A.
      • Illinois
      • Iowa
      • Kansas
      • Minnesota
      • Missouri
      • Nebraska
      • North Dakota
      • Oklahoma
      • South Dakota
      • Wisconsin
    • Northeastern U.S.A.
      • Connecticut
      • Indiana
      • Maine
      • Massachusetts
      • Michigan
      • New Hampshire
      • New Jersey
      • New York
      • Ohio
      • Pennsylvania
      • Rhode Island
      • Vermont
      • West Virginia
    • Northwestern U.S.A.
      • Colorado
      • Idaho
      • Montana
      • Oregon
      • Washington
      • Wyoming
    • South-central U.S.A.
      • New Mexico
      • Texas
    • Southeastern U.S.A.
      • Alabama
      • Arkansas
      • Delaware
      • District Of Columbia
      • Florida
      • Georgia
      • Kentucky
      • Louisiana
      • Maryland
      • Mississippi
      • North Carolina
      • South Carolina
      • Tennessee
      • Virginia
    • Southwestern U.S.A.
      • Arizona
      • California
      • Nevada
      • Utah
    • Western Canada
      • Alberta
      • British Columbia
      • Manitoba
      • Saskatchewan
  • Southern America
    • Brazil
      • Brazil North
      • Brazil Northeast
      • Brazil South
      • Brazil Southeast
      • Brazil West-central
    • Caribbean
      • Cuba
      • Puerto Rico
      • Windward Islands
    • Central America
      • Costa Rica
      • El Salvador
      • Guatemala
      • Honduras
    • Northern South America
      • French Guiana
      • Guyana
      • Suriname
      • Venezuela
    • Southern South America
      • Argentina Northeast
      • Argentina Northwest
      • Argentina South
      • Chile Central
      • Chile North
      • Chile South
      • Juan Fernández Islands
      • Paraguay
      • Uruguay
    • Western South America
      • Bolivia

Links to other databases Top

Suggest others/fix!
Database ID/link to page
World Flora Online wfo-0000080671
UNII 1KE45XD28S
Florida Plant Atlas 1765
Flora of Alabama 639
Canadensys 2987
USDA Plants CIIN
Tropicos 2702287
INPN 91169
Flora of Italy 6152
KEW urn:lsid:ipni.org:names:194533-1
The Plant List gcc-37233
Missouri Botanical Garden 277301
Open Tree Of Life 692350
Observations.org 6608
NCBI Taxonomy 13427
NBN Atlas NBNSYS0000004514
Nature Serve 2.154066
IPNI 194533-1
iNaturalist 52913
GBIF 5392252
Freebase /m/015rkd
WisFlora 3127
EPPO CICIN
EOL 467862
Elurikkus 3744
Calflora (Californian flora) 2107
US Library of Congress sh85023316
USDA GRIN 10543
Wikipedia Chicory
CMAUP NPO9865

Genomes (via NCBI) Top

Below is displayed the reference genome only!
If you wish to browse all genomes for this plant click here.
Accession Assembly
Name Level Submitter Released Coverage Size
GCA_023525715.1 ASM2352571v1 Chromosome Agricultural Genomics Institute at Shenzhen, Chinese Academy of Agricultural Sciences 2022-05-24 51.0x 1.19 Gb

Scientific Literature Top

Below are displayed the latest 15 articles published in PMC (PubMed Central®) and other sources (DOI number only)!
If you wish to see all the related articles click here.
Title Authors Publication Released IDs
Foliar-applied silicate potassium modulates growth, phytochemical, and physiological traits in Cichorium intybus L. under salinity stress Mohammadi H, Abdollahi-Bastam S, Aghaee A, Ghorbanpour M BMC Plant Biol 16-Apr-2024
PMCID:PMC11020321
doi:10.1186/s12870-024-05015-6
PMID:38627611
Exploring the antioxidant potential of endophytic fungi: a review on methods for extraction and quantification of total antioxidant capacity (TAC) Asomadu RO, Ezeorba TP, Ezike TC, Uzoechina JO 3 Biotech 05-Apr-2024
PMCID:PMC10997672
doi:10.1007/s13205-024-03970-3
PMID:38585410
Efficacy and classification of Sesamum indicum linn seeds with Rosa damascena mill oil in uncomplicated pelvic inflammatory disease using machine learning Sumbul, Sultana A, Heyat MB, Rahman K, Akhtar F, Parveen S, Urbano MB, Lipari V, De la Torre Díez I, Khan AA, Malik A Front Chem 02-Apr-2024
PMCID:PMC11018920
doi:10.3389/fchem.2024.1361980
PMID:38629105
Inhibitory effect of natural compounds on quorum sensing system in Pseudomonas aeruginosa: a helpful promise for managing biofilm community Shariati A, Noei M, Askarinia M, Khoshbayan A, Farahani A, Chegini Z Front Pharmacol 02-Apr-2024
PMCID:PMC11019022
doi:10.3389/fphar.2024.1350391
PMID:38628638
LC/MS/MS and GC/MS/MS metabolic profiling of Leontodon hispidulus, in vitro and in silico anticancer activity evaluation targeting hexokinase 2 enzyme Abd-El-Aziz NM, Hifnawy MS, Lotfy RA, Younis IY Sci Rep 22-Mar-2024
PMCID:PMC10959984
doi:10.1038/s41598-024-57288-4
PMID:38519553
Functional analysis of CYP71AV1 reveals the evolutionary landscape of artemisinin biosynthesis Chen FY, Mu QY, Xu BY, Lei YC, Liu HY, Fang X Front Plant Sci 21-Mar-2024
PMCID:PMC10991709
doi:10.3389/fpls.2024.1361959
PMID:38576787
Standardising bee sampling: A systematic review of pan trapping and associated floral surveys Krahner A, Dietzsch AC, Jütte T, Pistorius J, Everaars J Ecol Evol 17-Mar-2024
PMCID:PMC10944983
doi:10.1002/ece3.11157
PMID:38500849
Identification and expression analysis of TPS family gene in Cannabis sativa L Xu J, Kong L, Ren W, Wang Z, Tang L, Wu W, Liu X, Ma W, Zhang S Heliyon 16-Mar-2024
PMCID:PMC10966592
doi:10.1016/j.heliyon.2024.e27817
PMID:38545150
Suppression of P2X4 and P2X7 by Lactobacillus rhamnosus vitaP1: effects on hangover symptoms Kwon JE, Hong W, Jeon H, Kim CS, Kim H, Kang SC AMB Express 15-Mar-2024
PMCID:PMC10942966
doi:10.1186/s13568-024-01685-5
PMID:38491208
Folk Knowledge and Perceptions about the Use of Wild Fruits and Vegetables–Cross-Cultural Knowledge in the Pipli Pahar Reserved Forest of Okara, Pakistan Jabeen S, Arshad F, Harun N, Waheed M, Alamri S, Haq SM, Vitasović-Kosić I, Fatima K, Chaudhry AS, Bussmann RW Plants (Basel) 14-Mar-2024
PMCID:PMC10974405
doi:10.3390/plants13060832
PMID:38592859
Plant Biotic and Abiotic Stresses Manghwar H, Zaman W Life (Basel) 12-Mar-2024
PMCID:PMC10971520
doi:10.3390/life14030372
PMID:38541697
Potential Interest of Oxalis pes-caprae L., a Wild Edible Plant, for the Food and Pharmaceutical Industries Clemente-Villalba J, Burló F, Hernández F, Carbonell-Barrachina ÁA Foods 12-Mar-2024
PMCID:PMC10969124
doi:10.3390/foods13060858
PMID:38540848
Editorial: Plant's bioactivity in modern health and diet: benefits, limitations and trendy application Kostić AŽ, Mihaylova D, Petkova NT Front Nutr 11-Mar-2024
PMCID:PMC10961430
doi:10.3389/fnut.2024.1385444
PMID:38529195
Long-Term Monitoring of the Traditional Knowledge of Plant Species Used for Culinary Purposes in the Valencia Region, South-Eastern Spain Belda A, Jordán-Nuñez J, Micó-Vicent B, López-Rodríguez D Plants (Basel) 08-Mar-2024
PMCID:PMC10975046
doi:10.3390/plants13060775
PMID:38592810
Hyperuricemia research progress in model construction and traditional Chinese medicine interventions Zhou H, Yang J, Yuan X, Song X, Zhang X, Cao T, Zhang J Front Pharmacol 07-Mar-2024
PMCID:PMC10955118
doi:10.3389/fphar.2024.1294755
PMID:38515855

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.
Name PubChem ID Canonical SMILES MW Found in Proof
> Benzenoids / Anthracenes
8-Hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde 163029200 Click to see COC1=C2C=CC(=CC2=C(C3=C1C=CC=C3O)OC)C=O 282.29 unknown https://doi.org/10.1021/NP800001V
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
3,4-Dihydroxybenzoic acid 72 Click to see C1=CC(=C(C=C1C(=O)O)O)O 154.12 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
Syringic acid 10742 Click to see COC1=CC(=CC(=C1O)OC)C(=O)O 198.17 unknown https://doi.org/10.1021/NP800001V
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids
Gallic Acid 370 Click to see C1=C(C=C(C(=C1O)O)O)C(=O)O 170.12 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
Vanillic Acid 8468 Click to see COC1=C(C=CC(=C1)C(=O)O)O 168.15 unknown https://doi.org/10.1021/NP800001V
> Benzenoids / Benzene and substituted derivatives / Biphenyls and derivatives
(2R)-3-[3-(5-allyl-2-hydroxy-phenyl)-4-hydroxy-phenyl]propane-1,2-diol 11066525 Click to see C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC(CO)O)O 300.30 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylpyruvic acid derivatives
Enol-phenylpyruvate 641637 Click to see C1=CC=C(C=C1)C=C(C(=O)O)O 164.16 unknown via CMAUP database
> Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids
(3aR)-2,3,3abeta,4,5,7,8,9,9abeta,9balpha-Decahydro-4beta-[(4-hydroxybenzyl)carbonyloxy]-6-methyl-3-methylene-2,7-dioxoazuleno[4,5-b]furan-9beta-carbaldehyde 12967200 Click to see CC1=C2C(C(CC2=O)C=O)C3C(C(C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3 410.40 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
(4-hydroxy-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[8,7-b]furan-9-yl)methyl 2-(4-hydroxyphenyl)acetate 78178711 Click to see CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)COC(=O)CC4=CC=C(C=C4)O 410.40 unknown https://doi.org/10.1007/BF00899298
(5a,6a,8a,11a)-8-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide-15-al 8-(4-hydroxyphenylacetate) 131752526 Click to see CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)C=O)C)OC(=O)CC4=CC=C(C=C4)O 410.40 unknown https://doi.org/10.1515/ZNB-2001-0812
(9-formyl-6-methyl-3-methylidene-2,7-dioxo-4,5,8,9,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) 2-(4-hydroxyphenyl)acetate 78384822 Click to see CC1=C2C(C(CC2=O)C=O)C3C(C(C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3 410.40 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
(9-formyl-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl) 2-(4-hydroxyphenyl)acetate 162920394 Click to see CC1=C2C(C3C(C(C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3)C(=CC2=O)C=O 408.40 unknown https://doi.org/10.1515/ZNB-2001-0812
[(3aR,4S,9S,9aS,9bR)-9-formyl-6-methyl-3-methylidene-2,7-dioxo-4,5,8,9,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate 162872116 Click to see CC1=C2C(C(CC2=O)C=O)C3C(C(C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3 410.40 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
[(3aS,4S,9aS,9bR)-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate 162961035 Click to see CC1=C2C(C3C(C(C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3)C(=CC2=O)CO 410.40 unknown https://doi.org/10.1016/S0031-9422(00)80838-9
11b,13-Dihydrolactucopicrin 14565841 Click to see CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)CO)C)OC(=O)CC4=CC=C(C=C4)O 412.40 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1515/ZNB-2001-0812
https://doi.org/10.1515/ZNB-2011-0714
11beta,13-Dihydrolactucopicrin 14565842 Click to see CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)CO)C)OC(=O)CC4=CC=C(C=C4)O 412.40 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1515/ZNB-2011-0714
https://doi.org/10.1515/ZNB-2001-0812
11beta,13-Dihydrolactupicrinal 101122884 Click to see CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)C=O)C)OC(=O)CC4=CC=C(C=C4)O 410.40 unknown https://doi.org/10.1515/ZNB-2001-0812
4-Hydroxyphenylacetic acid 127 Click to see C1=CC(=CC=C1CC(=O)O)O 152.15 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
Benzeneacetic acid, 4-hydroxy-,(3aR,4S,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-9-(hydroxymethyl)-6-methyl-3-methylene-2,7-dioxoazuleno[4,5-b]furan-4-yl ester 3482908 Click to see CC1=C2C(C3C(C(C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3)C(=CC2=O)CO 410.40 unknown https://doi.org/10.1016/J.CHROMA.2007.11.013
https://doi.org/10.1515/ZNB-2001-0812
https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1016/S0031-9422(00)80838-9
https://doi.org/10.1021/JF00094A026
https://doi.org/10.1016/S0021-9673(00)96288-5
https://doi.org/10.1515/ZNC-2002-11-1207
Ethyl 4-hydroxyphenylacetate 28310 Click to see CCOC(=O)CC1=CC=C(C=C1)O 180.20 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
Intybin 174863 Click to see CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)COC(=O)CC4=CC=C(C=C4)O 410.40 unknown https://doi.org/10.1007/BF00899298
Lactupicrin 174880 Click to see CC1=C2C(C3C(C(C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3)C(=CC2=O)CO 410.40 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1016/S0031-9422(00)83015-0
https://doi.org/10.1016/J.JEP.2004.06.031
https://doi.org/10.1515/ZNB-2001-0812
https://doi.org/10.1016/S0031-9422(00)80838-9
Lactupicrinal 101122883 Click to see CC1=C2C(C3C(C(C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3)C(=CC2=O)C=O 408.40 unknown https://doi.org/10.1515/ZNB-2001-0812
Methyl 4-hydroxyphenylacetate 518900 Click to see COC(=O)CC1=CC=C(C=C1)O 166.17 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
2-Dodecyl-3-methylbutanedioic acid 99891 Click to see CCCCCCCCCCCCC(C(C)C(=O)O)C(=O)O 300.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
Azelaic Acid 2266 Click to see C(CCCC(=O)O)CCCC(=O)O 188.22 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
Cicutol 5315864 Click to see CCCCC=CC=CC=CC#CC#CCCCO 242.36 unknown via CMAUP database
> Lipids and lipid-like molecules / Glycerophospholipids / Glycerophosphates / Diacylglycerophosphates / 1,2-diacylglycerol-3-phosphates
1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphate 24779559 Click to see CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCC=CCCCCC 701.00 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
2-Methoxy-3,5-dimethyl-6-[1,3,6-trimethyl-4-(4-methyl-5-oxohept-2-en-2-yl)-6-bicyclo[3.1.0]hex-2-enyl]pyran-4-one 73820471 Click to see CCC(=O)C(C)C=C(C)C1C2C(C2(C)C3=C(C(=O)C(=C(O3)OC)C)C)(C=C1C)C 398.50 unknown https://doi.org/10.1248/CPB.36.2423
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin K compounds
Deoxylapachol 97448 Click to see CC(=CCC1=CC(=O)C2=CC=CC=C2C1=O)C 226.27 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(-)-Selina-4,11-diene 6427714 Click to see CCC1(CCCC(=C1CC(C)C(=C)C)C)C 220.39 unknown via CMAUP database
Lactupicrin methyl ester 157010039 Click to see CC1=C2C(C(C(C(C1)(C)OC(=O)CC3=CC=C(C=C3)O)C(=C)C(=O)OC)O)C(=CC2=O)CO 456.50 unknown https://doi.org/10.1016/S0031-9422(00)80838-9
methyl 2-[(3aS,4R,5S,6S)-4-hydroxy-3-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)acetyl]oxy-6,8-dimethyl-1-oxo-3a,4,5,7-tetrahydroazulen-5-yl]prop-2-enoate 162965128 Click to see CC1=C2C(C(C(C(C1)(C)OC(=O)CC3=CC=C(C=C3)O)C(=C)C(=O)OC)O)C(=CC2=O)CO 456.50 unknown https://doi.org/10.1016/S0031-9422(00)80838-9
methyl 2-[(3aS,4R,5S,6S)-4-hydroxy-3-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)acetyl]oxy-8-methyl-1-oxo-4,5,6,7-tetrahydro-3aH-azulen-5-yl]prop-2-enoate 100622832 Click to see CC1=C2C(C(C(C(C1)OC(=O)CC3=CC=C(C=C3)O)C(=C)C(=O)OC)O)C(=CC2=O)CO 442.50 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1515/ZNB-2001-0812
methyl 2-[4-hydroxy-3-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)acetyl]oxy-8-methyl-1-oxo-4,5,6,7-tetrahydro-3aH-azulen-5-yl]prop-2-enoate 156602844 Click to see CC1=C2C(C(C(C(C1)OC(=O)CC3=CC=C(C=C3)O)C(=C)C(=O)OC)O)C(=CC2=O)CO 442.50 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1515/ZNB-2001-0812
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)- 9859094 Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene 519361 Click to see CC(=C)C1CCC2(CCCC(=C)C2C1)C 204.35 unknown via CMAUP database
beta-Selinene 442393 Click to see CC(=C)C1CCC2(CCCC(=C)C2C1)C 204.35 unknown via CMAUP database
naphthalene, 1,2,3,4,4a,5,6,7-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, (2R-cis)- 90657506 Click to see CC1=C2CC(CCC2(CCC1)C)C(=C)C 204.35 unknown via CMAUP database
Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, [2R-(2alpha,4aalpha,8abeta)]- 6432455 Click to see CC1=CCCC2(C1CC(CC2)C(=C)C)C 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
(-)-Germacrene A 9548706 Click to see CC1=CCCC(=CCC(CC1)C(=C)C)C 204.35 unknown via CMAUP database
(1Z,5E)-1,5-dimethyl-8-prop-1-en-2-ylcyclodeca-1,5-diene 5463084 Click to see CC1=CCCC(=CCC(CC1)C(=C)C)C 204.35 unknown via CMAUP database
(1Z,5Z,8S)-1,5-dimethyl-8-prop-1-en-2-ylcyclodeca-1,5-diene 6440527 Click to see CC1=CCCC(=CCC(CC1)C(=C)C)C 204.35 unknown via CMAUP database
Germacren A 5835162 Click to see CC1=CCCC(=CCC(CC1)C(=C)C)C 204.35 unknown via CMAUP database
Germacrene a 9548705 Click to see CC1=CCCC(=CCC(CC1)C(=C)C)C 204.35 unknown https://doi.org/10.1080/12538078.1999.10515807
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC88848/
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids
(4aR,6aR,6aS,8aR,12aS,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one 392170 Click to see CC1(CCC2(CC=C3C4(CCC5C(C(=O)CCC5(C4CCC3(C2C1)C)C)(C)C)C)C)C 424.70 unknown via CMAUP database
(4aS,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one 11877466 Click to see CC1(CCC2(CC=C3C4(CCC5C(C(=O)CCC5(C4CCC3(C2C1)C)C)(C)C)C)C)C 424.70 unknown via CMAUP database
(6aR,6aS,8aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one 45033599 Click to see CC1(CCC2(CC=C3C4(CCC5C(C(=O)CCC5(C4CCC3(C2C1)C)C)(C)C)C)C)C 424.70 unknown via CMAUP database
4,4,6a,8a,11,11,12b,14b-Octamethyl-1,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-3(2H)-picenone 500344 Click to see CC1(CCC2(CC=C3C4(CCC5C(C(=O)CCC5(C4CCC3(C2C1)C)C)(C)C)C)C)C 424.70 unknown via CMAUP database
Taraxerol acetate 94225 Click to see CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CCC4(C3=CCC5(C4CC(CC5)(C)C)C)C)C)C 468.80 unknown via CMAUP database
Taraxerone 92785 Click to see CC1(CCC2(CC=C3C4(CCC5C(C(=O)CCC5(C4CCC3(C2C1)C)C)(C)C)C)C)C 424.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
(2S,3S,4R,5R,6R)-6-[[(6aR,8aS,12aS,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-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]-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid 11968348 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(CO7)O)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C 927.10 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones
9-hydroxy-8-(hydroxymethyl)-5-methyl-1-methylidene-4,8a,9,9a-tetrahydro-3aH-azuleno[6,5-b]furan-2,6-dione 162990713 Click to see CC1=C2C(C(C3C(C1)OC(=O)C3=C)O)C(=CC2=O)CO 276.28 unknown https://doi.org/10.1515/ZNB-2001-0812
Intybulide A 101122885 Click to see CC1=C2C(C(C3C(C1)OC(=O)C3=C)O)C(=CC2=O)CO 276.28 unknown https://doi.org/10.1515/ZNB-2001-0812
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Eudesmanolides, secoeudesmanolides, and derivatives
(3aS,5aR,6R)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one 5319200 Click to see CC1=C2C3C(CCC2(C(CC1)O)C)C(=C)C(=O)O3 248.32 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1248/BPB.23.1005
(3aS,5aS,8S,9bS)-8-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one 11459313 Click to see CC1=C2C3C(CCC2(CCC1O)C)C(=C)C(=O)O3 248.32 unknown https://doi.org/10.1248/CPB.36.2423
(3S,3aS,5aS,8S,9bS)-3,5a,9-trimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one 13855748 Click to see CC1C2CCC3(CCC(C(=C3C2OC1=O)C)OC4C(C(C(C(O4)CO)O)O)O)C 412.50 unknown https://doi.org/10.1248/CPB.36.2423
6-Hydroxy-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one 3807142 Click to see CC1C2CCC3(C(CCC(=C3C2OC1=O)C)O)C 250.33 unknown https://doi.org/10.1248/BPB.23.1005
6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one 14414342 Click to see CC1=C2C3C(CCC2(C(CC1)O)C)C(=C)C(=O)O3 248.32 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1248/BPB.23.1005
Artesin[sesquiterpene] 10422228 Click to see CC1C2CCC3(C(CCC(=C3C2OC1=O)C)O)C 250.33 unknown https://doi.org/10.1248/BPB.23.1005
Cichoriolide A 14138125 Click to see CC1=C2C3C(CCC2(CCC1O)C)C(=C)C(=O)O3 248.32 unknown https://doi.org/10.1248/CPB.36.2423
Magnolialide 636954 Click to see CC1=C2C3C(CCC2(C(CC1)O)C)C(=C)C(=O)O3 248.32 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1248/BPB.23.1005
Sonchuside C 13855746 Click to see CC1C2CCC3(CCC(C(=C3C2OC1=O)C)OC4C(C(C(C(O4)CO)O)O)O)C 412.50 unknown https://doi.org/10.1248/CPB.36.2423
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
(3S,3aR,4S,6E,9R,10E,11aR)-4-hydroxy-3,6,10-trimethyl-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one 162938605 Click to see CC1C2C(CC(=CCC(C(=CC2OC1=O)C)OC3C(C(C(C(O3)CO)O)O)O)C)O 428.50 unknown https://doi.org/10.1248/CPB.36.2423
(3S,3aR,6E,9S,10E,11aS)-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one 101702520 Click to see CC1C2CCC(=CCC(C(=CC2OC1=O)C)OC3C(C(C(C(O3)CO)O)O)O)C 412.50 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1248/CPB.36.2423
https://doi.org/10.1515/ZNC-2002-11-1207
(3S,3aS,6E,9R,10E,11aS)-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one 162938430 Click to see CC1C2CCC(=CCC(C(=CC2OC1=O)C)OC3C(C(C(C(O3)CO)O)O)O)C 412.50 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
(3S,3aS,6E,9R,10E,11aS)-3,6,10-trimethyl-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one 162938434 Click to see CC1C2CCC(=CCC(C(=CC2OC1=O)C)OC3C(C(C(C(O3)CO)O)O)O)C 412.50 unknown https://doi.org/10.1248/CPB.36.2423
(3S,3aS,6Z,9S,10E,11aR)-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one 162938435 Click to see CC1C2CCC(=CCC(C(=CC2OC1=O)C)OC3C(C(C(C(O3)CO)O)O)O)C 412.50 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
3,6,10-trimethyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one 73818345 Click to see CC1C2CCC(=CCC(C(=CC2OC1=O)C)OC3C(C(C(C(O3)CO)O)O)O)C 412.50 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1248/CPB.36.2423
4-hydroxy-3,6,10-trimethyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one 156602796 Click to see CC1C2C(CC(=CCC(C(=CC2OC1=O)C)OC3C(C(C(C(O3)CO)O)O)O)C)O 428.50 unknown https://doi.org/10.1248/CPB.36.2423
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Guaianolides and derivatives
(3aS)-3,6,9-trimethylidene-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one 5318690 Click to see C=C1CCC2C1C3C(CC(C2=C)OC4C(C(C(C(O4)CO)O)O)O)C(=C)C(=O)O3 408.40 unknown via CMAUP database
(3S,3aS,6S,6aR,9aR,9bS)-3,6,9-trimethyl-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,7-dione 15558906 Click to see CC1CCC2C(C(=O)OC2C3C1C(=O)C=C3C)C 248.32 unknown https://doi.org/10.1016/0031-9422(90)85255-E
Cichoralexin 5315718 Click to see CC1CCC2C(C(=O)OC2C3C1C(=O)C=C3C)C 248.32 unknown https://doi.org/10.1016/0031-9422(90)85255-E
Ixerisoside D 101589321 Click to see C=C1CCC2C1C3C(CC(C2=C)OC4C(C(C(C(O4)CO)O)O)O)C(=C)C(=O)O3 408.40 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1515/ZNC-2002-11-1207
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde 124407318 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C=O 440.70 unknown https://doi.org/10.1021/NP800001V
3beta-3-Lupanol 610269 Click to see CC(C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C 428.70 unknown https://doi.org/10.1021/NP800001V
9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde 317607 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C=O 440.70 unknown https://doi.org/10.1021/NP800001V
9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid 2371 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O 456.70 unknown https://doi.org/10.1021/NP800001V
alpha-Amyrin 73170 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C 426.70 unknown via CMAUP database
Betulin 72326 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO 442.70 unknown https://doi.org/10.1021/NP800001V
Betulinaldehyde 99615 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C=O 440.70 unknown https://doi.org/10.1021/NP800001V
Betulinic Acid 64971 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O 456.70 unknown https://doi.org/10.1021/NP800001V
Cichoridiol 24878961 Click to see CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC(C1=C)O)C)C)C)(C)C)O)C 442.70 unknown https://doi.org/10.1021/NP800001V
Dihydrolupeol 13458955 Click to see CC(C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C 428.70 unknown https://doi.org/10.1021/NP800001V
Friedelan-3-one 244297 Click to see CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C 426.70 unknown https://doi.org/10.1021/NP800001V
Friedelin 91472 Click to see CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C 426.70 unknown https://doi.org/10.1021/NP800001V
Lup-20(29)-ene-3beta,28-diol 221023 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO 442.70 unknown https://doi.org/10.1021/NP800001V
Lupeol 259846 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C 426.70 unknown https://doi.org/10.1021/NP800001V
Oleanolic Acid 10494 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C 456.70 unknown via CMAUP database
Urs-12-en-3beta-ol 225688 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C 426.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids / Limonoids
CID 3978635 3978635 Click to see CC1(C(C2(C3CCC4(C(OC(=O)CC4(C3=C)OC2CC1=O)C5=COC=C5)C)C)C(C(=O)OC)O)C 486.60 unknown https://doi.org/10.1021/NP800001V
methyl (2R)-2-[(1R,3S,7R,8R,9R,12S,13R)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate 163100433 Click to see CC1(C(C2(C3CCC4(C(OC(=O)CC4(C3=C)OC2CC1=O)C5=COC=C5)C)C)C(C(=O)OC)O)C 486.60 unknown https://doi.org/10.1021/NP800001V
methyl (2S)-2-[(1S,3S,7R,8R,9R,12S,13R)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate 163100430 Click to see CC1(C(C2(C3CCC4(C(OC(=O)CC4(C3=C)OC2CC1=O)C5=COC=C5)C)C)C(C(=O)OC)O)C 486.60 unknown https://doi.org/10.1021/NP800001V
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
(3S,8S,9S,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 134766514 Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C 400.70 unknown https://doi.org/10.1016/S0031-9422(98)00555-X
5-Cholestene-3-ol, 24-methyl- 312822 Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C 400.70 unknown https://doi.org/10.1016/S0031-9422(98)00555-X
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(-)-beta-Sitosterol 6432744 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 414.70 unknown via CMAUP database
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-5-Ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 12314479 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 412.70 unknown https://doi.org/10.1021/NP800001V
17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 122544 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 412.70 unknown https://doi.org/10.1021/NP800001V
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/NP800001V
https://doi.org/10.1016/S0031-9422(98)00555-X
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/10.1016/S0031-9422(98)00555-X
https://doi.org/10.1021/NP800001V
Beta-Sitosterol 222284 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/NP800001V
Sitogluside 5742590 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C 576.80 unknown via CMAUP database
Stigmasterol 5280794 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 412.70 unknown https://doi.org/10.1021/NP800001V
https://doi.org/10.1016/S0031-9422(98)00555-X
> 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
Arginine 6322 Click to see C(CC(C(=O)O)N)CN=C(N)N 174.20 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
2-Oxo-2-oxonioacetate 18676629 Click to see [H+].[H+].C(=O)(C(=O)[O-])[O-] 90.03 unknown via CMAUP database
Butanedioate;hydron 21952380 Click to see [H+].[H+].C(CC(=O)[O-])C(=O)[O-] 118.09 unknown via CMAUP database
Oxalic acid-13C2 dihydrate 16213469 Click to see C(=O)(C(=O)O)O.O.O 128.05 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Tetracarboxylic acids and derivatives
(2S,1R)-1,2-Bis(3-(3,4-dihydroxyphenyl)prop-2-enoyloxy)ethane-1,2-dicarboxylic acid 6450976 Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O 474.40 unknown via CMAUP database
2,3-Bis[3-(3,4-dihydroxyphenyl)-propenoyloxy]butanedioic acid 5315820 Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O 474.40 unknown via CMAUP database
Caffeoyl feruloyl tartaric acid 50915790 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O 488.40 unknown via CMAUP database
Chicoric acid 5281764 Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O 474.40 unknown https://doi.org/10.1007/BF00564607
https://doi.org/10.1016/J.FOODCHEM.2014.06.024
https://doi.org/10.1016/S0031-9422(00)83015-0
https://doi.org/10.1248/YAKUSHI.123.593
Cichoric acid;Dicaffeoyltartaric acid 5134221 Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O 474.40 unknown https://doi.org/10.1007/BF00564607
D-Chicoric acid 5470299 Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O 474.40 unknown via CMAUP database
dl-Chicoric acid 65018 Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O 474.40 unknown via CMAUP database
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
(2S)-2-Hydroxybutanedioic acid 222656 Click to see C(C(C(=O)O)O)C(=O)O 134.09 unknown via CMAUP database
D-malate 92824 Click to see C(C(C(=O)O)O)C(=O)O 134.09 unknown via CMAUP database
Hydron;2-hydroxybutanedioate 20130941 Click to see [H+].[H+].C(C(C(=O)[O-])O)C(=O)[O-] 134.09 unknown via CMAUP database
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Primary amines / Monoalkylamines
1,4-Diaminobutane 1045 Click to see C(CCN)CN 88.15 unknown https://doi.org/10.1016/S0031-9422(98)00555-X
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Secondary amines / Dialkylamines
Spermidine 1102 Click to see C(CCNCCCN)CN 145.25 unknown https://doi.org/10.1016/S0031-9422(98)00555-X
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
(-)-Quinate 1560034 Click to see C1C(C(C(CC1(C(=O)[O-])O)O)O)O 191.16 unknown via CMAUP database
(+)-Quinic acid 37439 Click to see C1C(C(C(CC1(C(=O)O)O)O)O)O 192.17 unknown via CMAUP database
(1R,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid 15901362 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O 368.30 unknown via CMAUP database
(1S,3S,4R,5S)-3-[(Z)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxycyclohexane-1-carboxylic acid 24720973 Click to see C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O 516.40 unknown via CMAUP database
1,3-Dicaffeoylquinic acid 6474640 Click to see C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O 516.40 unknown via CMAUP database
1,3,4-Trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid 53420248 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O 338.31 unknown https://doi.org/10.1016/S0031-9422(02)00055-9
1,4-Dicaffeoylquinic acid 12358846 Click to see C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O 516.40 unknown via CMAUP database
3-O-Feruloylquinic acid 9799386 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O 368.30 unknown https://doi.org/10.1007/BF00564607
3,4-Dicaffeoyl quinic acid 10324242 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O 516.40 unknown via CMAUP database
4,5-Dicaffeoylquinic acid 5281780 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O 516.40 unknown via CMAUP database
5-p-Coumaroylquinic acid, (Z)- 90478782 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O 338.31 unknown via CMAUP database
Chlorogenic Acid 1794427 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 unknown https://doi.org/10.1007/BF00564607
https://doi.org/10.1016/S0031-9422(00)83015-0
https://doi.org/10.1515/ZNB-2001-0812
Chlorogensaure 12310830 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
cis-Chlorogenic acid 1794425 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
Cryptochlorogenic acid 9798666 Click to see C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O 354.31 unknown via CMAUP database
Cynarine 5281769 Click to see C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O 516.40 unknown via CMAUP database
Isochlorogenic acid A 6474310 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O 516.40 unknown via CMAUP database
Neochlorogenic acid 5280633 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 unknown https://doi.org/10.1007/BF00564607
Quinic acid 6508 Click to see C1C(C(C(CC1(C(=O)O)O)O)O)O 192.17 unknown via CMAUP database
trans-5-O-(4-coumaroyl)-D-quinic acid 6441280 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O 338.31 unknown https://doi.org/10.1016/S0031-9422(02)00055-9
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Shikimic acids and derivatves
(+)-Shikimic acid 10986763 Click to see C1C(C(C(C=C1C(=O)O)O)O)O 174.15 unknown via CMAUP database
3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid 1094 Click to see C1C(C(C(C=C1C(=O)O)O)O)O 174.15 unknown via CMAUP database
Shikimic acid 8742 Click to see C1C(C(C(C=C1C(=O)O)O)O)O 174.15 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
(3S,3aS,4R,9aR,9bS)-4-hydroxy-3,6-dimethyl-9-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione 133562318 Click to see CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)COC4C(C(C(C(O4)CO)O)O)O)C)O 440.40 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1248/CPB.36.2423
3,6-Dimethyl-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione 14138135 Click to see CC1C2CCC(=C3C(C2OC1=O)C(=CC3=O)COC4C(C(C(C(O4)CO)O)O)O)C 424.40 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1248/CPB.36.2423
4-Hydroxy-3,6-dimethyl-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione 14138129 Click to see CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)COC4C(C(C(C(O4)CO)O)O)O)C)O 440.40 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1248/CPB.36.2423
Benzyl beta-d-glucopyranoside 188977 Click to see C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O 270.28 unknown https://doi.org/10.1016/S0367-326X(02)00172-7
beta-D-Glucopyranoside, methyl 2108 Click to see COC1C(C(C(C(O1)CO)O)O)O 194.18 unknown https://doi.org/10.1021/NP800001V
Cichorioside B 101701639 Click to see CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)COC4C(C(C(C(O4)CO)O)O)O)C)O 440.40 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1248/CPB.36.2423
Crepidiaside B 101683332 Click to see CC1C2CCC(=C3C(C2OC1=O)C(=CC3=O)COC4C(C(C(C(O4)CO)O)O)O)C 424.40 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1515/ZNC-2002-11-1207
https://doi.org/10.1248/CPB.36.2423
Methyl alpha-D-galactopyranoside 76935 Click to see COC1C(C(C(C(O1)CO)O)O)O 194.18 unknown https://doi.org/10.1021/NP800001V
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal 3034366 Click to see C(C(C(C(C(C=O)N)O)O)O)O 179.17 unknown via CMAUP database
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal 107526 Click to see C(C(C(C(C(C=O)O)O)O)O)O 180.16 unknown https://doi.org/10.1016/S0031-9422(00)81036-5
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol 17751028 Click to see CC1(C(C(C(C(O1)CO)O)O)O)O 194.18 unknown https://doi.org/10.1021/NP800001V
alpha-GLUCOSAMINE, D- 445621 Click to see C(C1C(C(C(C(O1)O)N)O)O)O 179.17 unknown via CMAUP database
D-Glucose 5793 Click to see C(C1C(C(C(C(O1)O)O)O)O)O 180.16 unknown https://doi.org/10.1016/S0031-9422(00)81036-5
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 21606609 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)O)CO)O)O 680.60 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar alcohols
Mannitol 6251 Click to see C(C(C(C(C(CO)O)O)O)O)O 182.17 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Ethers / Acetals
1,1-Dibutoxybutane 22210 Click to see CCCCOC(CCC)OCCCC 202.33 unknown via CMAUP database
> Organoheterocyclic compounds / Benzofurans
6-Hydroxy-4,4,7a-trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one 14334 Click to see CC1(CC(CC2(C1=CC(=O)O2)C)O)C 196.24 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
Isololiolide 11019783 Click to see CC1(CC(CC2(C1=CC(=O)O2)C)O)C 196.24 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
Loliolide 100332 Click to see CC1(CC(CC2(C1=CC(=O)O2)C)O)C 196.24 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
15-Hdroxytaraxacin 54576216 Click to see CC1=C2C(=CC3=C(C(=O)OC3C1)C)C(=CC2=O)CO 258.27 unknown https://doi.org/10.1515/ZNB-2011-0714
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / 6-aminopurines
i-Pentenyladenine 69205258 Click to see CC(C)C=CC1=NC(=C2C(=N1)N=CN2)N 203.24 unknown https://doi.org/10.1016/S0176-1617(86)80037-2
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / 6-aminopurines / 6-alkylaminopurines
N-(3-Methylbut-2-EN-1-YL)-9H-purin-6-amine 92180 Click to see CC(=CCNC1=NC=NC2=C1NC=N2)C 203.24 unknown https://doi.org/10.1016/S0176-1617(86)80037-2
trans-Zeatin 449093 Click to see CC(=CCNC1=NC=NC2=C1NC=N2)CO 219.24 unknown https://doi.org/10.1016/S0176-1617(86)80037-2
> Organoheterocyclic compounds / Indoles and derivatives / Pyrroloindoles
[(8bS)-4,8b-dimethyl-3-(methylcarbamoyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate 3083935 Click to see CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C(=O)NC 318.37 unknown via CMAUP database
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
(3aR,9aS,9bS)-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione 162948960 Click to see CC1=C2C(C3C(CC1)C(=C)C(=O)O3)C(=CC2=O)CO 260.28 unknown https://doi.org/10.1016/S0031-9422(00)80838-9
(3aS,4R,9aR,9bS)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione 133568471 Click to see CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)CO 276.28 unknown https://doi.org/10.1515/ZNB-2001-0812
https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1016/S0031-9422(00)83015-0
https://doi.org/10.1016/J.JEP.2004.06.031
https://doi.org/10.1016/S0031-9422(00)80838-9
https://doi.org/10.1021/JF00094A026
https://doi.org/10.1016/S0021-9673(00)96288-5
(3aS)-3,3abeta,4,5,9abeta,9balpha-Hexahydro-9-(hydroxymethyl)-3alpha,6-dimethylazuleno[4,5-b]furan-2,7-dione 14163575 Click to see CC1C2CCC(=C3C(C2OC1=O)C(=CC3=O)CO)C 262.30 unknown https://doi.org/10.1515/ZNB-2001-0812
(3aS)-3,3abeta,4,5,9abeta,9balpha-Hexahydro-9-(hydroxymethyl)-3beta,6-dimethylazuleno[4,5-b]furan-2,7-dione 14163573 Click to see CC1C2CCC(=C3C(C2OC1=O)C(=CC3=O)CO)C 262.30 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1515/ZNB-2001-0812
(3R,3aR,4R,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione 154495949 Click to see CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)CO)C)O 278.30 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
(3S,3aR,4R,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione 102533069 Click to see CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)CO)C)O 278.30 unknown https://doi.org/10.1515/ZNB-2011-0714
11beta,13-Dihydro-8-deoxylactucin 14163574 Click to see CC1C2CCC(=C3C(C2OC1=O)C(=CC3=O)CO)C 262.30 unknown https://doi.org/10.1515/ZNB-2001-0812
https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1021/JF00094A026
11beta,13-Dihydrolactucin 9970764 Click to see CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)CO)C)O 278.30 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1515/ZNB-2001-0812
4-Hydroxy-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione 99114 Click to see CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)C)C)O 262.30 unknown https://doi.org/10.1515/ZNB-2011-0714
4-Hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione 14138137 Click to see CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)CO)C)O 278.30 unknown https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1515/ZNB-2001-0812
https://doi.org/10.1515/ZNB-2011-0714
4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione 3756497 Click to see CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)CO 276.28 unknown https://doi.org/10.1515/ZNB-2001-0812
https://doi.org/10.1016/J.FOODCHEM.2013.09.068
https://doi.org/10.1007/BF00899298
https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1016/S0031-9422(00)80838-9
6,8,11-epi-Desacetylmatricarin 906261 Click to see CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)C)C)O 262.30 unknown https://doi.org/10.1515/ZNB-2011-0714
8-Deoxylactucin 442196 Click to see CC1=C2C(C3C(CC1)C(=C)C(=O)O3)C(=CC2=O)CO 260.28 unknown https://doi.org/10.1515/ZNB-2001-0812
https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1016/S0031-9422(00)83015-0
https://doi.org/10.1248/CPB.36.2423
https://doi.org/10.1021/JF00094A026
https://doi.org/10.1016/S0031-9422(00)80838-9
https://doi.org/10.1515/ZNC-2002-11-1207
9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione 3467448 Click to see CC1=C2C(C3C(CC1)C(=C)C(=O)O3)C(=CC2=O)CO 260.28 unknown https://doi.org/10.1515/ZNB-2001-0812
https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1248/CPB.36.2423
https://doi.org/10.1016/S0031-9422(00)80838-9
Austricin 6713966 Click to see CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)C)C)O 262.30 unknown https://doi.org/10.1515/ZNB-2011-0714
Lactucin 442266 Click to see CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)CO 276.28 unknown https://doi.org/10.1016/J.CHROMA.2007.11.013
https://doi.org/10.1515/ZNB-2001-0812
https://doi.org/10.1007/BF00899298
https://doi.org/10.1016/S0031-9422(01)00072-3
https://doi.org/10.1016/S0031-9422(00)83015-0
https://doi.org/10.1021/JF00094A026
https://doi.org/10.1016/S0031-9422(00)80838-9
https://doi.org/10.1016/S0021-9673(00)96288-5
> Organoheterocyclic compounds / Naphthofurans
3,5a-Dimethyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one 162992443 Click to see CC1C2CCC3(CCCC(=C3C2OC1=O)OC4C(C(C(C(O4)CO)O)O)O)C 398.40 unknown https://doi.org/10.1248/CPB.36.2423
> Organoheterocyclic compounds / Pyrans / Pyranones and derivatives / Dihydropyranones
(3S)-3-hexatriacontyl-2,3-dihydropyran-6-one 162875478 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1COC(=O)C=C1 603.10 unknown https://doi.org/10.1080/10286020.2011.619181
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives
2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxybutanedioic acid 18318655 Click to see C1=CC(=C(C=C1C=CC(=O)C(C(C(=O)O)O)(C(=O)O)O)O)O 312.23 unknown https://doi.org/10.1016/J.FOODCHEM.2014.06.024
https://doi.org/10.1021/JF050541D
2,3-bis[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxybutanedioic acid 23131559 Click to see C1=CC(=C(C=C1C=CC(=O)C(C(=O)O)(C(C(=O)C=CC2=CC(=C(C=C2)O)O)(C(=O)O)O)O)O)O 474.40 unknown https://doi.org/10.1016/J.FOODCHEM.2014.06.024
https://doi.org/10.1007/BF00564607
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
(2R,3S)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid 9796778 Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O 312.23 unknown via CMAUP database
(2S,3R)-trans-caftaric acid 13887348 Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O 312.23 unknown via CMAUP database
3-O-Caffeoylshikimic acid 10131826 Click to see C1C(C(C(C=C1C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 336.29 unknown via CMAUP database
5-Caffeoylshikimic acid 5281762 Click to see C1C(C(C(C=C1C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O 336.29 unknown via CMAUP database
5-O-caffeoylshikimate 25243950 Click to see C1C(C(C(C=C1C(=O)[O-])O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O 335.28 unknown via CMAUP database
Caffeoyltartaric acid 9857913 Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O 312.23 unknown via CMAUP database
Caftaric acid 6440397 Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O 312.23 unknown via CMAUP database
cis-Caftaric acid 72551521 Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O 312.23 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Coumaric acid esters
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2,3-dihydroxypropyl ester, (E)- 5319874 Click to see C1=CC(=CC=C1C=CC(=O)OCC(CO)O)O 238.24 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://doi.org/10.1007/BF00564607
cis-Caffeic acid 1549111 Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O 180.16 unknown via CMAUP database
p-Coumaric acid 637542 Click to see C1=CC(=CC=C1C=CC(=O)O)O 164.16 unknown via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives
Coumarin 323 Click to see C1=CC=C2C(=C1)C=CC(=O)O2 146.14 unknown https://doi.org/10.1016/S0031-9422(00)83015-0
> Phenylpropanoids and polyketides / Coumarins and derivatives / Coumarin glycosides
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(6-hydroxy-2-oxochromen-7-yl)oxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate 11784767 Click to see C1=CC(=CC=C1CC(=O)OCC2C(C(C(C(O2)OC3=C(C=C4C=CC(=O)OC4=C3)O)O)O)O)O 474.40 unknown https://doi.org/10.1016/S0367-326X(02)00172-7
[3,4,5-Trihydroxy-6-(6-hydroxy-2-oxochromen-7-yl)oxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate 73100336 Click to see C1=CC(=CC=C1CC(=O)OCC2C(C(C(C(O2)OC3=C(C=C4C=CC(=O)OC4=C3)O)O)O)O)O 474.40 unknown https://doi.org/10.1016/S0367-326X(02)00172-7
6-Hydroxyskimmin 5088914 Click to see C1=CC(=O)OC2=CC(=C(C=C21)O)OC3C(C(C(C(O3)CO)O)O)O 340.28 unknown https://doi.org/10.1016/S0367-326X(02)00172-7
Cichoriin 442101 Click to see C1=CC(=O)OC2=CC(=C(C=C21)O)OC3C(C(C(C(O3)CO)O)O)O 340.28 unknown https://doi.org/10.1016/S0031-9422(00)83015-0
https://doi.org/10.1016/S0367-326X(02)00172-7
Esculin 5281417 Click to see C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O 340.28 unknown https://doi.org/10.1515/ZNB-2001-0812
https://doi.org/10.1016/S0031-9422(00)83015-0
Esculin hydrate 16211025 Click to see C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O.O 358.30 unknown via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 6,7-dihydroxycoumarins
Esculetin 5281416 Click to see C1=CC(=O)OC2=CC(=C(C=C21)O)O 178.14 unknown https://doi.org/10.1021/NP800001V
https://doi.org/10.1515/ZNB-2001-0812
https://doi.org/10.1139/O85-043
https://doi.org/10.1016/S0031-9422(00)83015-0
> Phenylpropanoids and polyketides / Flavonoids / Anthocyanidins
Flavylium 145858 Click to see C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2 207.25 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones
Apigenin 5280443 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O 270.24 unknown https://doi.org/10.1007/BF00580916
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
3-Hydroxyflavone 11349 Click to see C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O 238.24 unknown via CMAUP database
Izalpinin 5318691 Click to see COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC=CC=C3)O 284.26 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides
(2S,5R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 44256700 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O 449.40 unknown via CMAUP database
(2S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 44256715 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O 449.40 unknown via CMAUP database
(3R,4S,5S,6R)-2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 12303203 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O 449.40 unknown via CMAUP database
3-[[(2S,3R,4R,5S,6R)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid 46917149 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O)O)O)O 535.40 unknown via CMAUP database
Cyanidin 3-(6''-malonylglucoside) 44256740 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O)O)O)O 535.40 unknown https://doi.org/10.1016/0031-9422(84)83058-7
Cyanidin 3-galactoside 176457 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O.[Cl-] 484.80 unknown via CMAUP database
Cyanidin 3-glucoside 12303221 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O.[Cl-] 484.80 unknown via CMAUP database
Keracyanin 29231 Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O)O.[Cl-] 631.00 unknown via CMAUP database
Keracyanin cation 441674 Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O)O 595.50 unknown via CMAUP database
Kuromanin 441667 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O 449.40 unknown via CMAUP database
Oenin 443652 Click to see COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O 493.40 unknown via CMAUP database
Pelargonidin 3-glucoside ion 443648 Click to see C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O 433.40 unknown via CMAUP database
Peonidin 3-Glucoside Chloride 14311151 Click to see COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O 463.40 unknown via CMAUP database
Peonidin-3-glucoside 443654 Click to see COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O 463.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-5-O-glycosides
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[7-hydroxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxane-3,4,5-triol 154496448 Click to see C1=C(C=C(C(=C1O)O)O)C2=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)O 627.50 unknown https://doi.org/10.1016/S0031-9422(02)00055-9
3-oxo-3-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxan-2-yl]methoxy]propanoic acid 163190475 Click to see C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O 713.60 unknown https://doi.org/10.1016/S0031-9422(02)00055-9
Delphinidin 3-(6''-malonylglucoside) 5-glucoside 11972332 Click to see C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O 713.60 unknown via CMAUP database
Delphinidin 3-(6''-malonylglucoside)-5-malonylglucoside 44256901 Click to see C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O 799.60 unknown https://doi.org/10.1016/S0031-9422(00)81285-6
Delphinidin 3-glucoside 5-(6-O-malonylglucoside) 11972329 Click to see C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O 713.60 unknown https://doi.org/10.1016/S0031-9422(02)00055-9
Delphinidin 3,5-bis(6-O-malonylglucoside) 11972331 Click to see C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O 799.60 unknown via CMAUP database
Delphinidin 3,5-diglucoside 10100906 Click to see C1=C(C=C(C(=C1O)O)O)C2=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)O 627.50 unknown https://doi.org/10.1016/S0031-9422(02)00055-9
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-3-O-glucuronides
(2S,3S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 44259219 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O 478.40 unknown https://doi.org/10.1111/J.1095-8339.1984.TB02563.X
https://doi.org/10.1016/S0031-9422(00)83015-0
Kaempferol 3-glucuronide 5318759 Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O 462.40 unknown via CMAUP database
Miquelianin (Quercetin 3-O-glucuronide) 13258914 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O 478.40 unknown via CMAUP database
Querciturone 5274585 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O 478.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-7-O-glucuronides
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/10.1016/S0031-9422(00)83015-0
https://doi.org/10.1111/J.1095-8339.1984.TB02563.X
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
Astragalin 5282102 Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O 448.40 unknown https://doi.org/10.1111/J.1095-8339.1984.TB02563.X
https://doi.org/10.1016/S0031-9422(00)83015-0
cyanidin 3-O-rutinoside betaine 29232 Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=O)C=C(C4=C3)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O 594.50 unknown via CMAUP database
Hyperoside 5281643 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O 464.40 unknown https://doi.org/10.1111/J.1095-8339.1984.TB02563.X
https://doi.org/10.1016/S0031-9422(00)83015-0
https://doi.org/10.1007/BF00580916
Quercitrin 5280459 Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O 448.40 unknown https://doi.org/10.1007/BF00580916
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 via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-olate 91820114 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)[O-])O)O 463.40 unknown via CMAUP database
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 44257792 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O 432.40 unknown via CMAUP database
Apigenin 7-O-glucoside 5385553 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O 432.40 unknown via CMAUP database
Apigenin-7-O-glucoside 12304093 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O 432.40 unknown via CMAUP database
Apigetrin 5280704 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O 432.40 unknown via CMAUP database
CID 24211972 24211972 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O 594.50 unknown via CMAUP database
Isorhamnetin 7-glucoside 6455477 Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O 478.40 unknown via CMAUP database
Kaempferol 7-neohesperidoside 5483905 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O 594.50 unknown via CMAUP database
kaempferol 7-O-glucoside 10095180 Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O 448.40 unknown via CMAUP database
Kaempferol 7-O-rutinoside 102225228 Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O 594.50 unknown via CMAUP database
Kaempferol-7-O-neohesperidoside 22178437 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O 594.50 unknown via CMAUP database
Quercetin 7-O-glucoside 5381351 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O 464.40 unknown https://doi.org/10.1016/J.FOODCHEM.2012.11.060
Quercimeritrin 5282160 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O 464.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Hydroxyflavonoids / 7-hydroxyflavonoids
Cyanidin 128861 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O 287.24 unknown via CMAUP database
Cyanidin chloride 68247 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O.[Cl-] 322.69 unknown via CMAUP database
Cyanidin chloride monohydrate 6917937 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O.O.[Cl-] 340.71 unknown via CMAUP database
Pelargonidin 440832 Click to see C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O 271.24 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
Malvidin 159287 Click to see COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O 331.30 unknown via CMAUP database
Peonidin 441773 Click to see COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O 301.27 unknown via CMAUP database
Peonidin chloride 164544 Click to see COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O.[Cl-] 336.72 unknown via CMAUP database

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