Scientific name	Authority	First published in
Porrum ophioscorodon	(Link) Rchb.	Fl. Germ. Excurs. : 110 (1830)
Allium arenarium	Sadler ex Rchb.	Fl. Germ. Excurs. : 40 (1830)
Allium controversum	Schrad. ex Willd.	Enum. Pl. : 358 (1809)
Allium longicuspis	Regel	Trudy Imp. S.-Peterburgsk. Bot. Sada 3(2): 45 (1875)
Allium ophioscorodon	Link	Enum. Hort. Berol. Alt. 1: 318. 1821 (1821)
Allium pekinense	Prokh.	Trudy Prikl. Bot. 24: 181 (1929-1930 publ. 1931)
Allium sativum subsp. ophioscorodon	(Link) Schübl. & G.Martens	Fl. Würtemberg 220 1834
Allium sativum var. ophioscorodon	(Link) Döll	Rhein. Fl. 197. 1843
Allium scorodoprasum var. multibulbillosum	Y.N.Lee	Bull. Korea Pl. Res. 1: 3 (2002)
Allium sativum var. subrotundum	Gren. & Godr.	Fl. France 3: 197. 1855
Allium scorodoprasum var. viviparum	Regel	Trudy Imp. S.-Peterburgsk. Bot. Sada 3(2): 42. 1875
Allium sativum var. pekinense	(Prokh.) F.Maek.	J. Jap. Bot. 15: 149. 1939
Allium sativum f. pekinense	(Prokh.) Makino	Ill. Fl. Jap. ed. 2: 840 1961
Allium sativum var. controversum	(Schrad. ex Willd.) Nyman	Consp. Fl. Eur. 736 1882
Allium scorodoprasum subsp. viviparum	(Regel) K.Richt.	Pl. Eur. 1: 199. 1890 (1890)
Allium sativum subsp. subrotundum	(Gren. & Godr.) K.Richt.	Pl. Eur. 1: 199. 1890 (1890)
Allium sativum subsp. controversum	(Schrad. ex Willd.) K.Richt.	Pl. Eur. 1: 199 1890
Allium sativum subsp. asiaemediae	Kazakova	Kul't. Fl. SSSR 10: 76 (1978)
Allium sativum f. sagittatum	Kazakova	Kul't. Fl. SSSR 10: 77 (1978)
Allium sativum f. vulgare	Kazakova	Kul't. Fl. SSSR 10: 76 (1978)
Allium sativum f. asiae-mediae	Kazakova	Kulturnaya Fl. SSSR 10: 77 1978
Allium sativum var. sagittatum	Kazakova	Trudy Prikl. Bot. 45(1): 40, without type. 1971
Allium sativum var. vulgare	Kazakova	Trudy Prikl. Bot. 45(1): 40, without type. 1971

Common names Top

Add a new one! Suggest a correction!

Filter by language:

Language	Common/alternative name
English	cultivated garlic
English	garlic
English	garlic plant
English	garlic (allium sativum)
Spanish	ajo
Spanish	ajo andaluz
Spanish	ajo castanuelo
Spanish	ajo castañuelo
Spanish	ajo castellano
Spanish	ajo comun
Spanish	ajo común
Spanish	ajo comun y hortense que se come
Spanish	ajo común y hortense que se come
Spanish	ajo cultivado
Spanish	ajo diego
Spanish	ajo domestico
Spanish	ajo doméstico
Spanish	ajo morado
Spanish	ajo sanjuanero
Spanish	ajos
Afrikaans	knoffel
Amharic	ነጭ ሽንኩርት
ang	garleac
Arabic	الثوم
Arabic	ثوم
Assamese	ৰঘুন
Assamese	ৰচুন
Assamese	ৰহুন
Assamese	লহুন
Assamese	নহৰু
ay	ajusa
Azerbaijani	sarımsaq
azb	ساریمساق
ba	Һарымһаҡ
ban	kesuna
bar	knofe
bcl	bawang
Belarusian	часнок
Bulgarian	чесън
bi	lae
bi	galik
bjn	bawang putih
Bambara	tumɛ
Bengali	রসুন
Tibetan	སྒོག་ལོག
br	kignen
Bosnian	bijeli luk
Catalan	alls
Catalan	all
cdo	sáung-tàu
ce	КӀонцерг
co	adda
co	agliu
co	aglia
Czech	česnek kuchyňský
Czech	česnek setý
cv	Ыхра
Welsh	garlleg
Danish	hvid-løg
Danish	hvidløg
dag	tafarinom
German	knoblauch
German	knofi
diq	sir
dv	ލޮނުމެދު
Greek	Άλλιον το ήμερον
Greek	Σκόρδο
Esperanto	ajlo
Estonian	kiblok
Estonian	purokese
Estonian	küüslauk
Basque	berakatz
Basque	baratxuri
Persian	سیر
Finnish	kynsilaukka
Finnish	valkosipuli
Faroese	geirleykur
Faroese	hvítleykur
fon	ayo
French	ail
French	ail commun
French	ail cultivé
French	ail cultive
frr	knooplook
fur	ai
fy	knyflok
Irish	gairleog
gag	sarmısak
gd	creamh
Galician	allo
gn	Áho
gom	losun
grc	σκόροδον
grc	σκόρδον
Gujarati	લસણ
Manx	garleyd
Manx	garleid
Hausa	tafarnuwa
Hebrew	שום הגינה
Hebrew	שום
Hindi	लहसुन
Croatian	bijeli luk
Croatian	Češnjak
Upper Sorbian	kobołk
Upper Sorbian	prawy kobołk
ht	lay
Hungarian	fokhagyma
Armenian	սխտոր
hyw	Սխտոր
ia	allio
Indonesian	bawang putih
io	alio
Icelandic	geirlaukur
Icelandic	hvítlaukur
Italian	aglio
Japanese	ヒル
Japanese	タイサン
Japanese	ガーリック
Japanese	にんにく
Japanese	大蒜
Japanese	葫
Japanese	蒜
Japanese	ニンニク
jv	bawang
Georgian	ნიორი
kaa	sarımsaq
Kabyle	tiskart
kcg	a̱gurma a̱nfwuong
Kazakh	Сарымсақ
Khmer	ខ្ទឹមស
Kannada	ಬೆಳ್ಳುಳ್ಳಿ
Korean	갈릭
Korean	마늘
krc	сарымсах
krc	сарсмакъ
ks	رۆہن
ku	sîr
Cornish	kennin ewinek
lb	knuewlek
lb	knuewelek
lbe	Лаччи
Ganda	emisuwa egikaluba
li	knoeflouk
li	knoeplouk
li	witlouk
lij	aggio
lo	ຜັກທຽມ
Lithuanian	valgomasis česnakas
Latvian	Ķiploki
Latvian	ķiploks
lzh	大蒜
lzh	葫
lzh	蒜頭
lzh	蒜
mad	bâng potè
mad	bhâbâng potè
mai	लह्सुन
Malagasy	tongolo gasy
min	dasun
Macedonian	alho
Macedonian	garlic
Macedonian	a
Macedonian	all
Macedonian	aglia
Macedonian	ahus
Macedonian	ail cultivé
Macedonian	allo
Macedonian	ayu
Macedonian	azu
Macedonian	baratxuri
Macedonian	bawang putih
Macedonian	caxtillān xōnacatl
Macedonian	Česen
Macedonian	cesnak kuchynský
Macedonian	Češnjak
Macedonian	czosnek pospolity
Macedonian	fokhagyma
Macedonian	garleid
Macedonian	hudhra
Macedonian	hvítlaukur
Macedonian	hvitløk
Macedonian	kignen
Macedonian	knoflook
Macedonian	knuewelek
Macedonian	küüslauk
Macedonian	sarımsak
Macedonian	soàn-thâu
Macedonian	tafarnuwa
Macedonian	tỏi
Macedonian	usturoi
Macedonian	valgomasis česnakas
Macedonian	valkosipuli
Macedonian	Σκόρδο
Macedonian	Лаччи
Macedonian	Нуры
Macedonian	Сарымсак
Macedonian	Часник
Macedonian	Чеснок
Macedonian	Ыхра
Macedonian	Սխտոր
Macedonian	קנאבל
Macedonian	سیر
Macedonian	لہسن
Macedonian	هوږه
Macedonian	ነጭ ሽንኩርት
Macedonian	लशुनम्
Macedonian	लसुन
Macedonian	लसूण
Macedonian	લસણ
Macedonian	ରସୁଣ
Macedonian	பூண்டு
Macedonian	వెల్లుల్లి
Macedonian	กระเทียม
Macedonian	마늘
Macedonian	Лук
Malayalam	garlic
Malayalam	വെള്ളുള്ളി
Malayalam	വെളുത്തുള്ളി
mn	Саримс
mni	ꯆꯅꯝ
mnw	လသိုန်ဗတာင်
Marathi	लसुण
Marathi	लसूण
Malay	bawang putih
mt	tewm
Burmese	ကြက်သွန်ဖြူ
myv	Пейнечурька
nah	caxtillān xōnacatl
nan	sòan-thâu
nan	soàn-thâu
nap	àglio
Norwegian Bokmål	kvitløk
Norwegian Bokmål	hvitløk
Nepali	लसुन
Dutch	knoflook
Norwegian Nynorsk	kvitløk
Norwegian Nynorsk	kvitlauk
nv	tłʼohchin díchʼíʼí
nv	tłʼohchin díchʼííʼí
oc	alh cultivat
olo	Čosnokku
Oriya	garlic
Oriya	ରସୁଣ
os	Бодæн
os	Нуры
Punjabi	ਲਸਣ
Punjabi	ਥੋਮ
pam	bauang
pam	bawang
pap	konoflok
pap	konofló
pcd	al
Polish	czosnek zwyczajny
Polish	czosnek pospolity
pms	ai
Punjab	لسن
Punjab	تھوم
Pashto	هوږه
Portuguese	alho-ordinário
Portuguese	alho
Quechua	ajo
Quechua	ajos
Quechua	ajus
Quechua	asnaq pulla
Quechua	ahus
rmy	sir
Romanian	usturoi
Russian	лук посевной
Russian	Лук посевной
Russian	лук чеснок
Russian	лук-чеснок
Russian	чеснок
ruq	al'
sa	लशुनम्
Yakutian	чочунаах
sat	ᱨᱟ.ᱥᱩᱬ
sc	azu
scn	agghiu
scn	agghia
sco	garlic
sd	ٿوم
Samogitian	Česnags
Serbo-Croatian	beli luk
Serbo-Croatian	bijeli luk
Serbo-Croatian	Češnjak
Tachelhit	tiskrt
shn	မီႇၽိူၵ်ႇၶၢဝ်
shn	ၽၵ်းမီႇႁေႃ
Sinhala	සුදු ලූනු
Slovak	cesnak kuchynský
skr	تھوم
Slovenian	Česen
Slovenian	česen
Somali	toon
Albanian	hudhra
Serbian	Бијели лук
Serbian	Чешњак
Serbian	бели лук
srn	kunofroku
su	bawang bodas
Swedish	vit lök
Swedish	vitlökssås
Swedish	vitlök
Swahili	kitunguu saumu
Tamil	பூண்டு
tcy	ಬೊಳ್ಳುಳಿ
Telugu	వెల్లుల్లిపాయలు
Telugu	వెల్లుల్లి
tg	Сирпиёз
Thai	กระเทียมขาว
Thai	กระเทียม
tk	sarymsak
Turkish	sarmısak
Turkish	sarımsak
tt	сарымсак
tyv	Чеснок
ug	سامساق
Ukrainian	часник
Urdu	garlic
Urdu	گارلک
Urdu	لاسن
Urdu	لسسن
Urdu	لسن
Urdu	لیسن
Urdu	لہسن
Uzbek	sarimsoq
vec	àgio
vec	ajo
vep	künz'lauk
Vietnamese	tỏi
vls	look
vo	läl
Walloon	a
war	lasona
wo	laac
xmf	ნიორი
yi	קנאָבל
za	suenq
Chinese	大蒜
Chinese	蒜
Chinese	蒜（大蒜）
Chinese	蒜头
Chinese	蒜苔
Chinese	蒜薹
Chinese	蒜頭
Chinese	青蒜
Chinese	蒜瓣
Zulu	umvithu

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

Suggest a correction or add new data!

No germination or propagation data was added yet.

Distribution (via POWO/KEW) Top

Legend for the distribution data:

- Doubtful data

- Extinct

- Introduced

- Native

Africa click to expand
- Macaronesia
  - Canary Islands
- Northeast Tropical Africa
  - Ethiopia
- Northern Africa
  - Algeria
  - Egypt
  - Libya
  - Morocco
  - Tunisia
- Western Indian Ocean
  - Seychelles

Asia-temperate click to expand
- China
  - China North-central
  - China South-central
  - China Southeast
- Eastern Asia
  - Korea
- Middle Asia
  - Kazakhstan
  - Kirgizstan
  - Tadzhikistan
  - Turkmenistan
  - Uzbekistan
- Russian Far East
  - Amur
  - Primorye
- Western Asia
  - Iran
  - Iraq
  - Turkey

Asia-tropical click to expand
- Indian Subcontinent
  - Bangladesh
  - India
  - Pakistan
- Indo-China
  - Cambodia
  - Thailand

Europe click to expand
- Eastern Europe
  - Baltic States
  - Belarus
  - Central European Russia
  - East European Russia
  - North European Russia
  - Northwest European Russia
  - South European Russia
  - Ukraine
- Middle Europe
  - Austria
  - Czechoslovakia
  - Germany
  - Hungary
  - Poland
  - Switzerland
- Southeastern Europe
  - Albania
  - Bulgaria
  - Greece
  - Italy
  - Romania
  - Sicilia
  - Yugoslavia
- Southwestern Europe
  - Baleares
  - Corse
  - France
  - Sardegna
  - Spain

Northern America click to expand
- Mexico
  - Mexico Central
  - Mexico Northwest
  - Mexico Southeast
  - Mexico Southwest
- North-central U.S.A.
  - Illinois
  - Wisconsin
- Northeastern U.S.A.
  - New York
  - Vermont
- Southeastern U.S.A.
  - Kentucky
  - Tennessee

Southern America click to expand
- Caribbean
  - Cuba
  - Dominican Republic
  - Haiti
  - Jamaica
  - Leeward Islands
  - Puerto Rico
  - Trinidad-Tobago
- Western South America
  - Galápagos

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000757248
UNII	IIF21WT8O3
Canadensys	2486
USDA Plants	ALSA2
Tropicos	18401720
INPN	81505
Flora of Italy	6916
KEW	urn:lsid:ipni.org:names:528796-1
The Plant List	kew-296499
Plantarium	2161
Missouri Botanical Garden	257077
PFAF	Allium sativum
Open Tree Of Life	748370
Observations.org	142542
NCBI Taxonomy	4682
NBN Atlas	NHMSYS0100000446
Nature Serve	2.158725
IPNI	528796-1
iNaturalist	75363
GBIF	2856681
Freebase	/m/0dbrl
EPPO	ALLSA
EOL	1084926
Elurikkus	2660
Calflora (Californian flora)	8631
US Library of Congress	sh85053172
USDA GRIN	2368
Wikipedia	Garlic
CMAUP	NPO7103

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
Accession	Name	Level	Submitter	Released	Coverage	Size
GCA_030737875.1	ASM3073787v1	Chromosome	Northwestern Polytechnical University	2023-08-16	40.0x	15.33 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

Identification and validation of stable reference genes for RT-qPCR analyses of Kobresia littledalei seedlings

Sun H, Li C, Li S, Ma J, Li S, Li X, Gao C, Yang R, Ma N, Yang J, Yang P, He X, Hu T

BMC Plant Biol

11-May-2024

PMCID:	PMC11088182
doi:	10.1186/s12870-024-04924-w
PMID:	38730341

Study of medicinal plants used in ethnoveterinary medical system in riverine areas of Punjab, Pakistan

Umair M, Altaf M, Ahsan T, Bussmann RW, Abbasi AM, Gatasheh MK, Elrobh M

J Ethnobiol Ethnomed

07-May-2024

PMCID:	PMC11077875
doi:	10.1186/s13002-024-00686-9
PMID:	38715115

Potential Effects of Traditional Chinese Medicine in Anti-Aging and Aging-Related Diseases: Current Evidence and Perspectives

Ding X, Ma X, Meng P, Yue J, Li L, Xu L

Clin Interv Aging

01-May-2024

PMCID:	PMC11070163
doi:	10.2147/CIA.S447514
PMID:	38706635

The Effect of Phenolic-Rich Extracts of Rubus fruticosus, R. ulmifolius and Morus nigra on Oxidative Stress and Caco-2 Inhibition Growth

Martins MS, Rodrigues M, Flores-Félix JD, Garcia-Viguera C, Moreno DA, Alves G, Silva LR, Gonçalves AC

Nutrients

30-Apr-2024

PMCID:	PMC11085810
doi:	10.3390/nu16091361
PMID:	38732606

Medicinal ethnoveterinary plants used for treating livestock ailments in the omo-gibe and rift valley basins of Ethiopia

Wendimu A, Bojago E, Abrham Y

BMC Vet Res

30-Apr-2024

PMCID:	PMC11059770
doi:	10.1186/s12917-024-04019-6
PMID:	38689300

Integrative Genomics and Bioactivity-Guided Isolation of Novel Antimicrobial Compounds from Streptomyces sp. KN37 in Agricultural Applications

Zhao J, Li Q, Zeeshan M, Zhang G, Wang C, Han X, Yang D

Molecules

28-Apr-2024

PMCID:	PMC11085741
doi:	10.3390/molecules29092040
PMID:	38731531

Characterizations of White Mulberry, Sea-Buckthorn, Garlic, Lily of the Valley, Motherwort, and Hawthorn as Potential Candidates for Managing Cardiovascular Disease—In Vitro and Ex Vivo Animal Studies

Witkowska A, Gryn-Rynko A, Syrkiewicz P, Kitala-Tańska K, Majewski MS

Nutrients

27-Apr-2024

PMCID:	PMC11085323
doi:	10.3390/nu16091313
PMID:	38732560

Systematic Review of Chemical Compounds with Immunomodulatory Action Isolated from African Medicinal Plants

Nikiema WA, Ouédraogo M, Ouédraogo WP, Fofana S, Ouédraogo BH, Delma TE, Amadé B, Abdoulaye GM, Sawadogo AS, Ouédraogo R, Semde R

Molecules

26-Apr-2024

PMCID:	PMC11085867
doi:	10.3390/molecules29092010
PMID:	38731500

Green Preparation and Antibacterial Activity Evaluation of AgNPs-Blumea balsamifera Oil Nanoemulsion

Ma C, Liu B, Du L, Liu W, Zhu Y, Chen T, Wang Z, Chen H, Pang Y

Molecules

26-Apr-2024

PMCID:	PMC11085303
doi:	10.3390/molecules29092009
PMID:	38731501

Gas chromatography-stable isotope ratio mass spectrometry prior solid phase microextraction and gas chromatography-tandem mass spectrometry: development and optimization of analytical methods to analyse garlic (Allium sativum L.) volatile fraction

Pianezze S, Paolini M, D'Archivio AA, Perini M

Heliyon

26-Apr-2024

PMCID:	PMC11078878
doi:	10.1016/j.heliyon.2024.e30248
PMID:	38726102

Commodity risk assessment of Petunia spp. and Calibrachoa spp. unrooted cuttings from Kenya

Bragard C, Baptista P, Chatzivassiliou E, Di Serio F, Gonthier P, Jaques Miret JA, Justesen AF, MacLeod A, Magnusson CS, Milonas P, Navas‐Cortes JA, Parnell S, Reignault PL, Stefani E, Thulke H, Van der Werf W, Civera AV, Yuen J, Zappalà L, Manda RR, Schulz OM, Akrivou A, Antonatos S, Beris D, Debode J, Kritikos C, Kormpi M, Lacomme C, Manceau C, Papachristos D, Reppa C, Gardi C, Potting R

EFSA J

25-Apr-2024

PMCID:	PMC11044013
doi:	10.2903/j.efsa.2024.8742
PMID:	38665158

Antioxidant and Hypoglycemic Potential of Phytogenic Selenium Nanoparticle- and Light Regime-Mediated In Vitro Caralluma tuberculata Callus Culture Extract

Ali A, Mashwani ZU, Raja NI, Mohammad S, Ahmad MS, Luna-Arias JP

ACS Omega

24-Apr-2024

PMCID:	PMC11079897
doi:	10.1021/acsomega.3c10222
PMID:	38737082

Plant cultural indicators of forest resources from the Himalayan high mountains: implications for improving agricultural resilience, subsistence, and forest restoration

Haq SM, Khoja AA, Waheed M, Pieroni A, Siddiqui MH, Bussmann RW

J Ethnobiol Ethnomed

24-Apr-2024

PMCID:	PMC11040985
doi:	10.1186/s13002-024-00685-w
PMID:	38659048

NMR Metabolite Profiling for the Characterization of Vessalico Garlic Ecotype and Bioactivity against Xanthomonas campestris pv. campestris

Iobbi V, Parisi V, Lanteri AP, Maggi N, Giacomini M, Drava G, Minuto G, Minuto A, Tommasi ND, Bisio A

Plants (Basel)

23-Apr-2024

PMCID:	PMC11085173
doi:	10.3390/plants13091170
PMID:	38732385

Re‐evaluation of certain aspects of the EFSA Scientific Opinion of April 2010 on risk assessment of parasites in fishery products, based on new scientific data. Part 1: ToRs1–3

Koutsoumanis K, Allende A, Alvarez‐Ordóñez A, Bover‐Cid S, Chemaly M, De Cesare A, Herman L, Hilbert F, Lindqvist R, Nauta M, Nonno R, Peixe L, Ru G, Simmons M, Skandamis P, Suffredini E, Buchmann K, Careche M, Levsen A, Mattiucci S, Mladineo I, Santos MJ, Barcia‐Cruz R, Broglia A, Chuzhakina K, Goudjihounde SM, Guerra B, Messens W, Guajardo IM, Bolton D

EFSA J

22-Apr-2024

PMCID:	PMC11033839
doi:	10.2903/j.efsa.2024.8719
PMID:	38650612

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
> Alkaloids and derivatives / Lupin alkaloids / Cytisine and derivatives
(1R,9S)-13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one	56840792	Click to see CC1C2CNCC1C3=CC=CC(=O)N3C2	204.27	unknown	via CMAUP database
> Alkaloids and derivatives / Protopine alkaloids
Protopine	4970	Click to see CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3	353.40	unknown	via CMAUP database
> Alkaloids and derivatives / Tropane alkaloids
[(1S,3S,5R,6S)-8-methyl-6-[(E)-2-methylbut-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate	21159049	Click to see CC=C(C)C(=O)OC1CC2CC(C(C1)N2C)OC(=O)C(=CC)C	321.40	unknown	via CMAUP database
> 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
4-Hydroxybenzoic acid	135	Click to see C1=CC(=CC=C1C(=O)O)O	138.12	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	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Methoxybenzenes / Dimethoxybenzenes
(e)-4-(3,4-Dimethoxy-phenyl)but-3-en-1-yl palmitate	21668972	Click to see CCCCCCCCCCCCCCCC(=O)OCCC=CC1=CC(=C(C=C1)OC)OC	446.70	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenethylamines
N-Methylmescaline	138365	Click to see CNCCC1=CC(=C(C(=C1)OC)OC)OC	225.28	unknown	via CMAUP database
> Benzenoids / Fluorenes
7-Methoxy-11,11-dimethyl-4b,5,10,10a-tetrahydrobenzo[b]fluorene-5,9-diol	163029574	Click to see CC1(C2CC3=C(C=C(C=C3O)OC)C(C2C4=CC=CC=C41)O)C	310.40	unknown	https://doi.org/10.1055/S-2006-960087 https://doi.org/10.1021/NP50074A014
> Benzenoids / Phenols / Methoxyphenols
cis-Coniferyl alcohol	1549094	Click to see COC1=C(C=CC(=C1)C=CCO)O	180.20	unknown	via CMAUP database
Coniferyl Alcohol	1549095	Click to see COC1=C(C=CC(=C1)C=CCO)O	180.20	unknown	via CMAUP database
> Benzenoids / Triphenyl compounds
Tritylcysteine	256411	Click to see C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N	363.50	unknown	https://doi.org/10.1158/1535-7163.MCT-05-0152
> Homogeneous metal compounds / Homogeneous transition metal compounds
Copper	23978	Click to see [Cu]	63.55	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Unsaturated aliphatic hydrocarbons
1-Heptadecene	23217	Click to see CCCCCCCCCCCCCCCC=C	238.50	unknown	via CMAUP database
1-Pentadecene	25913	Click to see CCCCCCCCCCCCCC=C	210.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Eicosanoids / Prostaglandins and related compounds
Methyl 15-hydroxy-9-oxoprosta-5,10,13-trien-1-oate	53393996	Click to see CCCCCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)OC)O	348.50	unknown	https://doi.org/10.1002/PTR.2650070514
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
Arachidonic Acid	444899	Click to see CCCCCC=CCC=CCC=CCC=CCCCC(=O)O	304.50	unknown	https://doi.org/10.1271/BBB1961.49.1187
Icosa-2,4,6,8,10-pentaenoic acid	135002	Click to see CCCCCCCCCC=CC=CC=CC=CC=CC(=O)O	302.50	unknown	https://doi.org/10.1271/BBB1961.49.1187
Icosapent	446284	Click to see CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O	302.50	unknown	https://doi.org/10.1271/BBB1961.49.1187
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
Etheroleic acid	25246008	Click to see CCCCC=COC=CC=CCCCCCCCC(=O)O	294.40	unknown	https://doi.org/10.1111/J.1432-1033.1997.00137.X
Etherolenic acid	23724709	Click to see CCC=CC=COC=CC=CCCCCCCCC(=O)O	292.40	unknown	https://doi.org/10.1111/J.1432-1033.1997.00137.X
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
Stearyl Alcohol	8221	Click to see CCCCCCCCCCCCCCCCCCO	270.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty amides / N-acyl amines
(E,E,E)-N-(2-Methylpropyl)hexadeca-2,6,8-trien-10-ynamide	5281152	Click to see CCCCCC#CC=CC=CCCC=CC(=O)NCC(C)C	301.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
(9Z,12Z)-Ethyl octadeca-9,12-dienoate	11001	Click to see CCCCCC=CCC=CCCCCCCCC(=O)OCC	308.50	unknown	via CMAUP database
Ethyl Linoleate	5282184	Click to see CCCCCC=CCC=CCCCCCCCC(=O)OCC	308.50	unknown	via CMAUP database
Linoleic Acid	5280450	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	https://doi.org/10.1271/BBB1961.49.1187
> Lipids and lipid-like molecules / Glycerolipids / Glycosylglycerols
Glyceryl sulfoquinovoside	192765	Click to see C(C1C(C(C(C(O1)OCC(CO)O)O)O)O)S(=O)(=O)O	318.30	unknown	https://doi.org/10.1271/BBB1961.49.1187
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Aconitane-type diterpenoid alkaloids
[(1S,4S,5R,6S,8R,9R,13S,16S,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-aminobenzoate	44363234	Click to see CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N	586.70	unknown	https://doi.org/10.1002/PTR.2650070514
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
Citral	638011	Click to see CC(=CCCC(=CC=O)C)C	152.23	unknown	via CMAUP database
Geraniol	637566	Click to see CC(=CCCC(=CCO)C)C	154.25	unknown	via CMAUP database
Nerol	643820	Click to see CC(=CCCC(=CCO)C)C	154.25	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin E compounds / Tocopherols
Alpha-Tocopherol	14985	Click to see CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C	430.70	unknown	https://doi.org/10.1021/JF960524B
Covi-ox	6560141	Click to see CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C	430.70	unknown	https://doi.org/10.1021/JF960524B
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
(1R,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol	53477762	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	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(3R,8R,10R,14R)-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol	24883931	Click to see CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)O)C	460.70	unknown	via CMAUP database
(5R,8R,10R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one	10411112	Click to see CC(=CCCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CCC(=O)C4(C)C)C)C)C)O)C	442.70	unknown	via CMAUP database
beta-Citraurin	9845703	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C	432.60	unknown	via CMAUP database
Fomefficinic acid C	11294714	Click to see CC(C)C(=C)CCC(C1CC(C2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C)O)C(=O)O	486.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Sphingolipids / Glycosphingolipids
2-hydroxy-N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide	73156994	Click to see CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCCCCCCCC)O)O	714.00	unknown	https://doi.org/10.1248/CPB.46.1153
2-hydroxy-N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]pentadecanamide	85211680	Click to see CCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCCCCCCCC)O)O	700.00	unknown	https://doi.org/10.1248/CPB.46.1153
2-hydroxy-N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]tetradecanamide	73999394	Click to see CCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCCCCCCCC)O)O	686.00	unknown	https://doi.org/10.1248/CPB.46.1153
> Lipids and lipid-like molecules / Sphingolipids / Glycosphingolipids / Simple glycosylceramides / Glycosyl-N-acylsphingosines
(2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]tetradecanamide	10818374	Click to see CCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCCCCCCCC)O)O	686.00	unknown	https://doi.org/10.1248/CPB.46.1153
(2S,3R,4E,8E)-1-(beta-D-Glucopyranosyloxy)-2-[[(2R)-2-hydroxypentadecanoyl]amino]-4,8-octadecadiene-3-ol	10628502	Click to see CCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCCCCCCCC)O)O	700.00	unknown	https://doi.org/10.1248/CPB.46.1153
1-O-beta-D-Glucopyranosyl-N-[(2R)-2-hydroxypalmitoyl]sphingosine	101948670	Click to see CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCCCCCCCCCCCC)O)O	716.00	unknown	https://doi.org/10.1248/CPB.46.1153
2-hydroxy-N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]hexadecanamide	163027058	Click to see CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCCCCCCCCCCCC)O)O	716.00	unknown	https://doi.org/10.1248/CPB.46.1153
Soyacerebroside I	11104507	Click to see CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCCCCCCCC)O)O	714.00	unknown	https://doi.org/10.1248/CPB.46.1153
Soyacerebroside II	15599558	Click to see CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCCCCCCCC)O)O	714.00	unknown	https://doi.org/10.1248/CPB.46.1153
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Pregnane steroids / Gluco/mineralocorticoids, progestogins and derivatives
[(3R,5S,8S,9S,10S,11R,13R,14S,17R)-17-ethenyl-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate	25180961	Click to see CC(=O)OC1CC2(C(CCC2C3C1C4(CCC(CC4CC3)O)C)C=C)C	360.50	unknown	https://doi.org/10.1016/S0308-8146(96)00116-1
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid lactones / Cardenolides and derivatives / Cardenolide glycosides and derivatives
Divostroside	441857	Click to see CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)OC)O	534.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides / Steroidal saponins
(1R,2S,4S,6R,7S,8R,9S,12S,13R,15R,16R,18S,19R)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,15,19-triol	59052452	Click to see CC1C2C(CC3C2(CCC4C3CC(C5C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)O)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O	1277.40	unknown	via CMAUP database
(1R,2S,4S,6S,7S,8R,9S,12S,13R,15R,16R,18S,19R)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,15,19-triol	101584207	Click to see CC1C2C(CC3C2(CCC4C3CC(C5C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)O)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O	1277.40	unknown	via CMAUP database
(1S,2S,4S,6R,7S,8R,9S,12S,13R,15R,16R,18R)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,15,18-triol	59052451	Click to see CC1C2C(CC3C2(CCC4C3CCC5(C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)O)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O	1277.40	unknown	via CMAUP database
(1S,2S,4S,6R,7S,8R,9S,12S,13R,15R,16R,18R)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,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-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,15,18-triol	59052312	Click to see CC1C2C(CC3C2(CCC4C3CCC5(C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)O)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O	1439.50	unknown	via CMAUP database
(1S,2S,4S,6S,7S,8R,9S,12S,13R,15R,16R,18R)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,15,18-triol	101584206	Click to see CC1C2C(CC3C2(CCC4C3CCC5(C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)O)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O	1277.40	unknown	via CMAUP database
(1S,2S,4S,6S,7S,8R,9S,12S,13R,15R,16R,18R)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,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-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,15,18-triol	101584205	Click to see CC1C2C(CC3C2(CCC4C3CCC5(C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)O)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O	1439.50	unknown	via CMAUP database
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4R,6R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	162939577	Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O	1215.30	unknown	https://doi.org/10.1248/CPB.37.2741
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4R,6R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,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-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	162954484	Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O	1377.50	unknown	https://doi.org/10.1248/CPB.37.2741
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,6S,7S,8R,9S,12S,13R,16S,18S,19R)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,19-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	162967157	Click to see CC1C2C(CC3C2(CCC4C3CC(C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)O)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O	1261.40	unknown	https://doi.org/10.1248/CPB.36.3659
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19R)-19-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	13787750	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)O)C)C)OC1	1081.20	unknown	via CMAUP database
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	101932450	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1	1081.20	unknown	via CMAUP database
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6S,7S,8R,9S,12S,13S,15R,16R,18S)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	162939076	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1	1051.20	unknown	https://doi.org/10.1248/CPB.37.2741
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	101826551	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1	1197.30	unknown	https://doi.org/10.1248/CPB.37.2741
(2S,5R)-2-[(2R,4S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(5'R,9S,13R,16S)-5',7,9,13-tetramethyl-6'-[(2S,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-[(2S,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol	5320739	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1OC1C(C(C(C(O1)CO)O)O)O	1063.20	unknown	via CMAUP database
2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,6R,8S,9S,12R,13S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	138115302	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)OC1	1035.20	unknown	https://doi.org/10.1248/CPB.37.2741
2-[4-Hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol	6712585	Click to see CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC	1063.20	unknown	via CMAUP database
2-Hydroxyspirostan-3-yl 4-O-(2-O-hexopyranosyl-3-O-pentopyranosylhexopyranosyl)hexopyranoside	496676	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1	1051.20	unknown	https://doi.org/10.1248/CPB.37.2741
F-Gitonin	44559009	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1	1051.20	unknown	https://doi.org/10.1248/CPB.37.2741
Protodegalactotigonin	14464370	Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O	1215.30	unknown	https://doi.org/10.1248/CPB.37.2741
Protoisoeruboside B	73795908	Click to see CC1C2C(CC3C2(CCC4C3CC(C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)O)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O	1261.40	unknown	https://doi.org/10.1248/CPB.36.3659
Sativoside R 1	14464372	Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O	1377.50	unknown	https://doi.org/10.1248/CPB.37.2741
Sativoside R2	3474285	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1	1197.30	unknown	https://doi.org/10.1248/CPB.37.2741
> Mixed metal/non-metal compounds / Transition metal organides / Transition metal sulfides
Cadmium sulfide	14783	Click to see S=[Cd]	144.48	unknown	via CMAUP database
> Nucleosides, nucleotides, and analogues / Purine nucleosides
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one	6802	Click to see C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N	283.24	unknown	https://doi.org/10.1055/S-2006-961993
Adenosine	60961	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N	267.24	unknown	https://doi.org/10.1055/S-2006-961993
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives
Acetic acid, (Z)-	9904352	Click to see CCN1C(=CC(=O)OCC)SC(C1=O)N2CCCCC2	298.40	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alanine and derivatives
(2S)-2-(phenylazaniumyl)propanoate	6946449	Click to see CC(C(=O)[O-])[NH2+]C1=CC=CC=C1	165.19	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
(2S)-2-azaniumylpropanoate	7311724	Click to see CC(C(=O)[O-])[NH3+]	89.09	unknown	via CMAUP database
2-Ammoniopropanoate	57383916	Click to see CC(C(=O)[O-])[NH3+]	89.09	unknown	via CMAUP database
Alanine	5950	Click to see CC(C(=O)O)N	89.09	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
D-alanine	71080	Click to see CC(C(=O)O)N	89.09	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
DL-Alanine-15N	51283	Click to see CC(C(=O)O)N	90.09	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acid esters
(2R)-2-azaniumyl-3-methoxy-3-oxopropane-1-thiolate	1550140	Click to see COC(=O)C(C[S-])[NH3+]	135.19	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
(2R)-2-azaniumyl-3-[(R)-prop-2-enylsulfinyl]propanoate	51399533	Click to see C=CCS(=O)CC(C(=O)[O-])[NH3+]	177.22	unknown	https://doi.org/10.1002/HLCA.19480310140
2-(Methylazaniumyl)acetate	7311726	Click to see C[NH2+]CC(=O)[O-]	89.09	unknown	via CMAUP database
2-Amino-3-prop-2-enylsulfinylpropanoic acid	121922	Click to see C=CCS(=O)CC(C(=O)O)N	177.22	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3888727/ https://doi.org/10.1556/ABIOL.60.2009.4.10
2-Aminobutyric acid	6657	Click to see CCC(C(=O)O)N	103.12	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
2-Azaniumyl-3-methylsulfinylpropanoate	25202909	Click to see CS(=O)CC(C(=O)[O-])[NH3+]	151.19	unknown	via CMAUP database
2-Azaniumyl-3-prop-2-enylsulfinylpropanoate	44229092	Click to see C=CCS(=O)CC(C(=O)[O-])[NH3+]	177.22	unknown	via CMAUP database
2-Azaniumylacetate	5257127	Click to see C(C(=O)[O-])[NH3+]	75.07	unknown	via CMAUP database
3-(Methylseleno)alanine	114835	Click to see C[Se]CC(C(=O)O)N	182.09	unknown	via CMAUP database
3-(Propylsulphinyl)-L-alanine	87309	Click to see CCCS(=O)CC(C(=O)O)N	179.24	unknown	https://doi.org/10.1016/0031-9422(88)80108-0
3,3'-Diselane-1,2-diylbis(2-aminopropanoic acid)	44123456	Click to see C(C(C(=O)[O-])[NH3+])[Se][Se]CC(C(=O)[O-])[NH3+]	334.11	unknown	via CMAUP database
5-Methylthiomorpholine-3-carboxylic acid 1-oxide	12305351	Click to see CC1CS(=O)CC(N1)C(=O)O	177.22	unknown	https://doi.org/10.1271/BBB1961.54.163
Alliin	9576089	Click to see C=CCS(=O)CC(C(=O)O)N	177.22	unknown	https://doi.org/10.1021/NP0503350
Butanoic acid, 2-amino-4-(ethylseleno)-	145924	Click to see CC[Se]CCC(C(=O)O)N	210.14	unknown	via CMAUP database
Isoalliin	5281112	Click to see CC=CS(=O)CC(C(=O)O)N	177.22	unknown	https://doi.org/10.1021/JF990938F https://doi.org/10.1016/0305-1978(95)00072-0
Methiin	9578071	Click to see CS(=O)CC(C(=O)O)N	151.19	unknown	https://doi.org/10.1016/0031-9422(88)80108-0
S-Methylcysteine sulfoxide	82142	Click to see CS(=O)CC(C(=O)O)N	151.19	unknown	https://doi.org/10.1016/0305-1978(95)00072-0 https://doi.org/10.1016/0031-9422(88)80108-0
Seleno-l-methio-nine	15820879	Click to see C[Se]CCC(C(=O)[O-])[NH3+]	196.12	unknown	via CMAUP database
Selenocystathionine	98223	Click to see C(C[Se]CC(C(=O)O)N)C(C(=O)O)N	269.17	unknown	via CMAUP database
Selenomethionine	15103	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 / Alpha amino acids / D-alpha-amino acids
(2R,3S)-2-amino-3-hydroxybutanoate	6995277	Click to see CC(C(C(=O)[O-])[NH3+])O	119.12	unknown	via CMAUP database
(2S)-2-amino-3-butylsulfinylpropanoic acid	102029208	Click to see CCCCS(=O)CC(C(=O)O)N	193.27	unknown	via CMAUP database
D-glutamine	145815	Click to see C(CC(=O)N)C(C(=O)O)N	146.14	unknown	via CMAUP database
D-ornithine	71082	Click to see C(CC(C(=O)O)N)CN	132.16	unknown	via CMAUP database
S-Allyl-L-cysteine sulfoxide	15558642	Click to see C=CCS(=O)CC(C(=O)O)N	177.22	unknown	https://doi.org/10.1016/0305-1978(95)00072-0 https://doi.org/10.1055/S-2006-957805 https://doi.org/10.1021/JF00055A002 https://doi.org/10.1016/0031-9422(88)80108-0 https://doi.org/10.1271/BBB1961.49.1187 https://doi.org/10.1093/JAOAC/80.5.1052 https://doi.org/10.1271/BBB1961.54.163 https://doi.org/10.1055/S-2006-957569 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1402896/ https://doi.org/10.1016/S0021-9673(01)82125-7 https://doi.org/10.1016/0031-9422(93)85404-F https://doi.org/10.1271/BBB.57.162 https://doi.org/10.1021/JF0346758 https://doi.org/10.1021/NP50096A009
S-Methylcysteine S-oxide	99483	Click to see CS(=O)CC(C(=O)O)N	151.19	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 / L-alpha-amino acids
(2R)-2-amino-3-[(R)-prop-2-enylsulfinyl]propanoic acid	51399534	Click to see C=CCS(=O)CC(C(=O)O)N	177.22	unknown	via CMAUP database
(2R)-2-amino-3-hydrosulfinylpropanoic acid	49866839	Click to see C(C(C(=O)O)N)S=O	137.16	unknown	via CMAUP database
(2R)-2-ammonio-3-(methylselanyl)propanoate	45266674	Click to see C[Se]CC(C(=O)[O-])[NH3+]	182.09	unknown	via CMAUP database
(2R)-2-azaniumyl-3-[(S)-methylsulfinyl]propanoate	40528043	Click to see CS(=O)CC(C(=O)[O-])[NH3+]	151.19	unknown	via CMAUP database
(2R)-2-azaniumyl-3-[(S)-prop-2-ene-1-sulfinyl]propanoate	51380903	Click to see C=CCS(=O)CC(C(=O)[O-])[NH3+]	177.22	unknown	via CMAUP database
(2R)-2-azaniumyl-3-prop-2-enylsulfinylpropanoate	25200619	Click to see C=CCS(=O)CC(C(=O)[O-])[NH3+]	177.22	unknown	via CMAUP database
(2S,3R)-2-azaniumyl-3-hydroxybutanoate	6971019	Click to see CC(C(C(=O)[O-])[NH3+])O	119.12	unknown	via CMAUP database
(2S)-2,5-diaminopentanoate;hydron	88747248	Click to see [H+].C(CC(C(=O)[O-])N)CN	132.16	unknown	via CMAUP database
(2S)-5-amino-2-ammonio-5-oxopentanoate	6992086	Click to see C(CC(=O)N)C(C(=O)[O-])[NH3+]	146.14	unknown	via CMAUP database
(2S)-6-amino-2-azaniumylhexanoate	122198194	Click to see C(CCN)CC(C(=O)[O-])[NH3+]	146.19	unknown	via CMAUP database
(3R,5S)-5-methyl-1-oxo-1,4-thiazinane-3-carboxylic acid	91808874	Click to see CC1CS(=O)CC(N1)C(=O)O	177.22	unknown	via CMAUP database
[(1S)-5-amino-1-carboxypentyl]azanium	24848423	Click to see C(CCN)CC(C(=O)O)[NH3+]	147.20	unknown	via CMAUP database
3-(allylsulphinyl)-L-alanine	87310	Click to see C=CCS(=O)CC(C(=O)O)N	177.22	unknown	https://doi.org/10.1055/S-2006-957805 https://doi.org/10.1021/JF00055A002 https://doi.org/10.1016/0031-9422(88)80108-0 https://doi.org/10.1271/BBB1961.49.1187 https://doi.org/10.1271/BBB1961.54.163 https://doi.org/10.1055/S-2006-957569 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1402896/ https://doi.org/10.1016/S0021-9673(01)82125-7 https://doi.org/10.1016/0031-9422(93)85404-F https://doi.org/10.1271/BBB.57.162 https://doi.org/10.1021/JF0346758 https://doi.org/10.1021/NP50096A009
3-(Ethylsulfinyl)-L-alanine	91820395	Click to see CCS(=O)CC(C(=O)[O-])[NH3+]	165.21	unknown	via CMAUP database
3-methylsulfinyl-L-alanine	90659041	Click to see CS(=O)CC(C(=O)[O-])[NH3+]	151.19	unknown	via CMAUP database
Arginine	6322	Click to see C(CC(C(=O)O)N)CN=C(N)N	174.20	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
Citrulline	9750	Click to see C(CC(C(=O)O)N)CNC(=O)N	175.19	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
Glutamine	5961	Click to see C(CC(=O)N)C(C(=O)O)N	146.14	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
L-2,4-diaminobutyric acid	134490	Click to see C(CN)C(C(=O)O)N	118.13	unknown	via CMAUP database
L-ornithine	6262	Click to see C(CC(C(=O)O)N)CN	132.16	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
L-ornithinium(1+)	59565831	Click to see C(CC(C(=O)O)N)C[NH3+]	133.17	unknown	via CMAUP database
L-ornithinium(2+)	449468	Click to see C(CC(C(=O)O)[NH3+])C[NH3+]	134.18	unknown	via CMAUP database
L-selenomethionine	105024	Click to see C[Se]CCC(C(=O)O)N	196.12	unknown	via CMAUP database
L-threoninate	5460797	Click to see CC(C(C(=O)[O-])N)O	118.11	unknown	via CMAUP database
Lysine	5962	Click to see C(CCN)CC(C(=O)O)N	146.19	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
Propiin	91819955	Click to see CCCS(=O)CC(C(=O)[O-])[NH3+]	179.24	unknown	via CMAUP database
S-butanoyl-L-cysteine S-oxide	91820237	Click to see CCCCS(=O)CC(C(=O)[O-])[NH3+]	193.27	unknown	via CMAUP database
Threonine	6288	Click to see CC(C(C(=O)O)N)O	119.12	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Asparagine and derivatives
(2S)-4-amino-2-ammonio-4-oxobutanoate	6992089	Click to see C(C(C(=O)[O-])[NH3+])C(=O)N	132.12	unknown	via CMAUP database
Asparagine	6267	Click to see C(C(C(=O)O)N)C(=O)N	132.12	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Aspartic acid and derivatives
(3S)-3-azaniumyl-4-hydroxy-4-oxobutanoate	44367445	Click to see C(C(C(=O)O)[NH3+])C(=O)[O-]	133.10	unknown	via CMAUP database
2-Azaniumyl-4-hydroxy-4-oxobutanoate	57397078	Click to see C(C(C(=O)[O-])[NH3+])C(=O)O	133.10	unknown	via CMAUP database
Aspartic Acid	5960	Click to see C(C(C(=O)O)N)C(=O)O	133.10	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
D-Aspartic acid	83887	Click to see C(C(C(=O)O)N)C(=O)O	133.10	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Glutamic acid and derivatives
(2S)-2-amino-5-hydroxy-5-oxopentanoate;hydron	88747398	Click to see [H+].C(CC(=O)O)C(C(=O)[O-])N	147.13	unknown	via CMAUP database
2-Azaniumyl-5-hydroxy-5-oxopentanoate	57397101	Click to see C(CC(=O)O)C(C(=O)[O-])[NH3+]	147.13	unknown	via CMAUP database
D-glutamic acid	23327	Click to see C(CC(=O)O)C(C(=O)O)N	147.13	unknown	via CMAUP database
Glutamic Acid	33032	Click to see C(CC(=O)O)C(C(=O)O)N	147.13	unknown	https://doi.org/10.1021/JF00044A010 https://doi.org/10.1016/0378-8741(96)01416-X
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Histidine and derivatives
(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoate	6971009	Click to see C1=C(NC=N1)CC(C(=O)[O-])[NH3+]	155.15	unknown	via CMAUP database
Histidine	6274	Click to see C1=C(NC=N1)CC(C(=O)O)N	155.15	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
Histidine-	498056	Click to see C1=C(NC=N1)CC(C(=O)O)N.[Cu]	218.70	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Isoleucine and derivatives
(2S,3R)-2-azaniumyl-3-methylpentanoate	6950182	Click to see CCC(C)C(C(=O)[O-])[NH3+]	131.17	unknown	via CMAUP database
(2S,3S)-2-ammonio-3-methylpentanoate	7043901	Click to see CCC(C)C(C(=O)[O-])[NH3+]	131.17	unknown	via CMAUP database
2-Ammonio-3-methylpentanoate	57397079	Click to see CCC(C)C(C(=O)[O-])[NH3+]	131.17	unknown	via CMAUP database
D-isoleucine zwitterion	6950183	Click to see CCC(C)C(C(=O)[O-])[NH3+]	131.17	unknown	via CMAUP database
l-Isoleucine	6306	Click to see CCC(C)C(C(=O)O)N	131.17	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Leucine and derivatives
2-Amino-4-methylvaleric acid	7045798	Click to see CC(C)CC(C(=O)[O-])[NH3+]	131.17	unknown	via CMAUP database
D-leucine zwitterion	6950207	Click to see CC(C)CC(C(=O)[O-])[NH3+]	131.17	unknown	via CMAUP database
Leucine	6106	Click to see CC(C)CC(C(=O)O)N	131.17	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Methionine and derivatives
(2R)-2-ammonio-4-(methylsulfanyl)butanoate	6992109	Click to see CSCCC(C(=O)[O-])[NH3+]	149.21	unknown	via CMAUP database
(2S)-2-ammonio-4-(methylsulfanyl)butanoate	6992087	Click to see CSCCC(C(=O)[O-])[NH3+]	149.21	unknown	via CMAUP database
2-Azaniumyl-4-methylsulfanylbutanoate	5255805	Click to see CSCCC(C(=O)[O-])[NH3+]	149.21	unknown	via CMAUP database
D-Methionine	84815	Click to see CSCCC(C(=O)O)N	149.21	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
L-methioninate	5460892	Click to see CSCCC(C(=O)[O-])N	148.21	unknown	via CMAUP database
Methionine	6137	Click to see CSCCC(C(=O)O)N	149.21	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Phenylalanine and derivatives
(2R)-2-ammonio-3-phenylpropanoate	6919011	Click to see C1=CC=C(C=C1)CC(C(=O)[O-])[NH3+]	165.19	unknown	via CMAUP database
D-phenylalanine	71567	Click to see C1=CC=C(C=C1)CC(C(=O)O)N	165.19	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
gamma-Glutamylphenylalanine	111299	Click to see C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCC(C(=O)O)N	294.30	unknown	https://doi.org/10.1016/0031-9422(92)83283-5
L-Phenylalanine, 23	57397115	Click to see C1=CC=C(C=C1)CC(C(=O)[O-])[NH3+]	165.19	unknown	via CMAUP database
Phenylalanine	6140	Click to see C1=CC=C(C=C1)CC(C(=O)O)N	165.19	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Proline and derivatives
(2S,4R)-4-hydroxypyrrolidinium-2-carboxylate	6971053	Click to see C1C(C[NH2+]C1C(=O)[O-])O	131.13	unknown	via CMAUP database
(2S,4S)-4-hydroxypyrrolidinium-2-carboxylate	6971054	Click to see C1C(C[NH2+]C1C(=O)[O-])O	131.13	unknown	via CMAUP database
(2S)-4-hydroxypyrrolidinium-2-carboxylate	45266637	Click to see C1C(C[NH2+]C1C(=O)[O-])O	131.13	unknown	via CMAUP database
(2S)-pyrrolidin-1-ium-2-carboxylate	6971047	Click to see C1CC([NH2+]C1)C(=O)[O-]	115.13	unknown	via CMAUP database
4-Hydroxypyrrolidinium-2-carboxylate	5238478	Click to see C1C(C[NH2+]C1C(=O)[O-])O	131.13	unknown	via CMAUP database
D-proline	8988	Click to see C1CC(NC1)C(=O)O	115.13	unknown	via CMAUP database
DL-Proline	614	Click to see C1CC(NC1)C(=O)O	115.13	unknown	via CMAUP database
Proline	145742	Click to see C1CC(NC1)C(=O)O	115.13	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Serine and derivatives
(2R)-2-ammonio-3-hydroxypropanoate	6857549	Click to see C(C(C(=O)[O-])[NH3+])O	105.09	unknown	via CMAUP database
Serine	5951	Click to see C(C(C(=O)O)N)O	105.09	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Tyrosine and derivatives
(2S)-2-ammonio-3-(4-hydroxyphenyl)propanoate	6942100	Click to see C1=CC(=CC=C1CC(C(=O)[O-])[NH3+])O	181.19	unknown	via CMAUP database
2-Amino-3-(4-hydroxyphenyl)-propanoic acid	6919035	Click to see C1=CC(=CC=C1CC(C(=O)[O-])[NH3+])O	181.19	unknown	via CMAUP database
Tyrosine	6057	Click to see C1=CC(=CC=C1CC(C(=O)O)N)O	181.19	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Valine and derivatives
(2S)-2-amino-3-methylbutanoate;hydron	88733505	Click to see [H+].CC(C)C(C(=O)[O-])N	117.15	unknown	via CMAUP database
D-Valine	71563	Click to see CC(C)C(C(=O)O)N	117.15	unknown	via CMAUP database
Valine	6287	Click to see CC(C)C(C(=O)O)N	117.15	unknown	https://doi.org/10.1021/JF00044A010 https://doi.org/10.1016/0378-8741(96)01416-X
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Amino acids and derivatives / Beta amino acids and derivatives
(3S)-3-azaniumyl-3-phenylpropanoate	6921435	Click to see C1=CC=C(C=C1)C(CC(=O)[O-])[NH3+]	165.19	unknown	via CMAUP database
3-Aminobutanoic acid	10932	Click to see CC(CC(=O)O)N	103.12	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Cysteine and derivatives
(2S)-2-azaniumyl-3-prop-2-enylsulfanylpropanoate	36689185	Click to see C=CCSCC(C(=O)[O-])[NH3+]	161.22	unknown	via CMAUP database
2-Amino-3-(prop-2-en-1-ylsulfanyl)propanoic acid	25202793	Click to see C=CCSCC(C(=O)[O-])[NH3+]	161.22	unknown	via CMAUP database
2-Azaniumyl-3-methylsulfanylpropanoate	25200522	Click to see CSCC(C(=O)[O-])[NH3+]	135.19	unknown	via CMAUP database
Allyl cysteine	23437571	Click to see C=CCNC(CS)C(=O)O	161.22	unknown	via CMAUP database
D-Cystine	6857538	Click to see C(C(C(=O)O)N)SSCC(C(=O)O)N	240.30	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
D-cystine zwitterion	6991967	Click to see C(C(C(=O)[O-])[NH3+])SSCC(C(=O)[O-])[NH3+]	240.30	unknown	via CMAUP database
DL-Cystine	595	Click to see C(C(C(=O)O)N)SSCC(C(=O)O)N	240.30	unknown	via CMAUP database
S-Allylcysteine	9793905	Click to see C=CCSCC(C(=O)O)N	161.22	unknown	https://doi.org/10.3892/OR.2.5.787 https://doi.org/10.1002/PTR.2650030203 https://doi.org/10.1021/JF00055A002
S-Propylcysteine	125198	Click to see CCCSCC(C(=O)O)N	163.24	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Cysteine and derivatives / L-cysteine-S-conjugates
(2R)-2-azaniumyl-3-(methylsulfanyl)propanoate	7058174	Click to see CSCC(C(=O)[O-])[NH3+]	135.19	unknown	via CMAUP database
(2R)-2-azaniumyl-3-[(prop-2-en-1-yl)sulfanyl]propanoate	40424388	Click to see C=CCSCC(C(=O)[O-])[NH3+]	161.22	unknown	via CMAUP database
(2R)-2-azaniumyl-3-butylsulfanylpropanoate	36690980	Click to see CCCCSCC(C(=O)[O-])[NH3+]	177.27	unknown	via CMAUP database
(2R)-2-azaniumyl-3-propylsulfanylpropanoate	40565896	Click to see CCCSCC(C(=O)[O-])[NH3+]	163.24	unknown	via CMAUP database
Cystine	67678	Click to see C(C(C(=O)O)N)SSCC(C(=O)O)N	240.30	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
L-cystine zwitterion	6992103	Click to see C(C(C(=O)[O-])[NH3+])SSCC(C(=O)[O-])[NH3+]	240.30	unknown	via CMAUP database
s-Allylmercaptocysteine	9794159	Click to see C=CCSSCC(C(=O)O)N	193.30	unknown	via CMAUP database
S-Ethylcysteine	25203803	Click to see CCSCC(C(=O)[O-])[NH3+]	149.21	unknown	via CMAUP database
S-Methyl-L-cysteine	24417	Click to see CSCC(C(=O)O)N	135.19	unknown	https://doi.org/10.1021/JF00055A002
S-Methylthiocysteine	3080775	Click to see CSSCC(C(=O)O)N	167.30	unknown	via CMAUP database
S-trans-1-propenyl-L-cysteine	91820358	Click to see CC=CSCC(C(=O)[O-])[NH3+]	161.22	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / N-acyl-alpha amino acids
(2S)-2-acetamido-3-prop-2-enylsulfanylpropanoic acid	10465488	Click to see CC(=O)NC(CSCC=C)C(=O)O	203.26	unknown	via CMAUP database
2-[methyl-[(E)-octadec-9-enoyl]amino]acetic acid	5879967	Click to see CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)O	353.50	unknown	via CMAUP database
gamma-Glutamyl-S-1-propenyl cysteine	25203227	Click to see CC=CSCC(C(=O)O)NC(=O)CCC(C(=O)O)N	290.34	unknown	https://doi.org/10.1016/0031-9422(92)83283-5
N-Acetyl-D-cysteine	94364	Click to see CC(=O)NC(CS)C(=O)O	163.20	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / N-acyl-alpha amino acids / N-acyl-L-alpha-amino acids
Acetylcysteine	12035	Click to see CC(=O)NC(CS)C(=O)O	163.20	unknown	via CMAUP database
> 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/10.1271/BBB1961.54.163
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides / Dipeptides
(S)-2-Amino-5-(((S)-1-carboxy-2-phenylethyl)amino)-5-oxopentanoic acid	558649	Click to see C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCC(C(=O)O)N	294.30	unknown	https://doi.org/10.1016/0031-9422(92)83283-5
[1-[[1-[2-[4-(Diaminomethylideneamino)butylcarbamoyl]-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl] acetate	76513880	Click to see CC(=O)OC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=CC=C2)C(=O)N3C4CC(CCC4CC3C(=O)NCCCCN=C(N)N)O	650.80	unknown	https://doi.org/10.1055/S-2006-960087
gamma-GLUTAMYL-S-ALLYLCYSTEINE	11346811	Click to see C=CCSCC(C(=O)O)NC(=O)CCC(C(=O)O)N	290.34	unknown	https://doi.org/10.1055/S-2006-957805 https://doi.org/10.1016/0031-9422(92)83283-5
gamma-glutamyl-S-allylmercaptocysteine	101630431	Click to see C=CCSSCC(C(=O)O)NC(=O)CCC(C(=O)O)N	322.40	unknown	https://doi.org/10.1016/0031-9422(92)83283-5
gamma-glutamyl-S-propyl cysteine	54090099	Click to see CCCSCC(C(=O)O)NC(=O)CCC(C(=O)O)N	292.35	unknown	via CMAUP database
L-gamma-Glutamyl-S-allylthio-L-cysteine	131752387	Click to see C=CCSSCC(C(=O)O)NC(=O)CCC(C(=O)O)N	322.40	unknown	https://doi.org/10.1016/0031-9422(92)83283-5
Methylseleno carboxyethylglutamine	20807051	Click to see C[Se]CC(C(=O)O)NC(=O)CCC(C(=O)O)N	311.20	unknown	via CMAUP database
Methylseleno carboxypropylglutamine	16128830	Click to see C[Se]CCC(C(=O)O)NC(=O)CCC(C(=O)O)N	325.23	unknown	via CMAUP database
N-gamma-Glutamyl-S-allylcysteine	11193907	Click to see C=CCSCC(C(=O)O)NC(=O)CCC(C(=O)O)N	290.34	unknown	https://doi.org/10.1016/0031-9422(92)83283-5
N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine	87289205	Click to see CC=CSCC(C(=O)O)NC(=O)CCC(C(=O)O)N	290.34	unknown	https://doi.org/10.1016/0031-9422(92)83283-5
N5-((R)-1-Carboxy-3-(methylthio)propyl)-L-glutamine	87315837	Click to see CSCCC(C(=O)O)NC(=O)CCC(C(=O)O)N	278.33	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters / Enol esters
[(1E)-2,6-dimethylhepta-1,5-dienyl] acetate	24832062	Click to see CC(=CCCC(=COC(=O)C)C)C	182.26	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Primary carboxylic acid amides
2-(Prop-2-enyldisulfanyl)acetamide	25201750	Click to see C=CCSSCC(=O)N	163.30	unknown	https://doi.org/10.1158/1535-7163.MCT-05-0152 https://doi.org/10.3892/IJMM.21.6.765
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acids
Acetate	175	Click to see CC(=O)[O-]	59.04	unknown	via CMAUP database
Hydron;acetate	21980959	Click to see [H+].CC(=O)[O-]	60.05	unknown	via CMAUP database
> Organic acids and derivatives / Organic sulfonic acids and derivatives / Organosulfonic acids and derivatives / Organosulfonic acids
Taurine	1123	Click to see C(CS(=O)(=O)O)N	125.15	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
> Organic acids and derivatives / Organic sulfuric acids and derivatives / Sulfuric acid esters / Sulfuric acid diesters
(E)-2-Propenyl (3-(2-propenylthio)-2-propenyl) sulfate	10977885	Click to see C=CCOS(=O)(=O)OCC=CSCC=C	250.30	unknown	https://doi.org/10.1021/JF011182Z
Prop-2-enyl 3-prop-2-enylsulfanylprop-2-enyl sulfate	85353315	Click to see C=CCOS(=O)(=O)OCC=CSCC=C	250.30	unknown	https://doi.org/10.1021/JF011182Z
> Organic acids and derivatives / Organic thiosulfuric acids and derivatives / S-alkyl thiosulfates
(z)-Allyl thiosulfate	57507750	Click to see C=CCOS(=O)(=O)SCC=C	194.30	unknown	https://doi.org/10.1021/NP0503350
3-Sulfonatosulfanylprop-1-ene	59479946	Click to see C=CCSS(=O)(=O)[O-]	153.20	unknown	via CMAUP database
> Organic acids and derivatives / Seleninic acids and derivatives
Methylselenic acid	161597	Click to see C[Se](=O)O	127.01	unknown	via CMAUP database
> Organic acids and derivatives / Thiosulfinic acid esters
(Methanesulfinylsulfanyl)methane	95200	Click to see CSS(=O)C	110.20	unknown	via CMAUP database
3-[(S)-prop-2-enylsulfinyl]sulfanylprop-1-ene	51380898	Click to see C=CCSS(=O)CC=C	162.30	unknown	https://doi.org/10.1271/BBB.80482
3-Ethenyl-3,4-dihydrodithiine 1-oxide	5315238	Click to see C=CC1CC=CS(=O)S1	160.30	unknown	via CMAUP database
Allicin	65036	Click to see C=CCSS(=O)CC=C	162.30	unknown	https://doi.org/10.1111/J.1600-0536.1996.TB02217.X https://doi.org/10.1055/S-2006-960118 https://doi.org/10.1016/S0003-2670(01)01104-7 https://doi.org/10.1093/INFDIS/156.1.243 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC180079/ https://doi.org/10.1055/S-2006-960969 https://doi.org/10.1271/BBB.80482 https://doi.org/10.1271/BBB1961.49.1187 https://doi.org/10.1055/S-2006-962811 https://doi.org/10.1055/S-2006-961482 https://doi.org/10.1093/CHROMSCI/32.3.93 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1402896/ https://doi.org/10.1021/JF00042A017 https://doi.org/10.1021/JF990938F https://doi.org/10.17660/ACTAHORTIC.2001.555.6 https://doi.org/10.1016/0049-3848(86)90025-3 https://doi.org/10.1271/BBB.61.1482 https://doi.org/10.1002/J.1537-2197.1994.TB15413.X https://doi.org/10.1007/BF02873666 https://doi.org/10.1089/JMF.1999.2.39 https://doi.org/10.1111/J.1440-1681.1995.TB02032.X https://doi.org/10.1002/(SICI)1099-1573(199606)10:4<329::AID-PTR826>3.0.CO;2-2 https://doi.org/10.1002/PTR.2650060310 https://doi.org/10.1016/S0021-9673(00)91342-6 https://doi.org/10.1016/S0944-7113(96)80043-2 https://doi.org/10.1055/S-2006-957439 https://doi.org/10.1007/BF02856491
Me-SS(O)-Propenyl	5319763	Click to see CC=CS(=O)SC	136.20	unknown	via CMAUP database
S-2-Propenyl methanesulfinothioate	20216915	Click to see CS(=O)SCC=C	136.20	unknown	https://doi.org/10.1021/NP0503350
S-Methyl 2-propene-1-sulfinothioate	5319504	Click to see CSS(=O)CC=C	136.20	unknown	via CMAUP database
> Organic nitrogen compounds / Organonitrogen compounds / Organic cyanides / Nitriles
7-(Methylthio)heptanenitrile	5319789	Click to see CSCCCCCCC#N	157.28	unknown	via CMAUP database
> Organic nitrogen compounds / Organonitrogen compounds / Quaternary ammonium salts / Tetraalkylammonium salts
Tetraethylammonium Chloride	5946	Click to see CC[N+](CC)(CC)CC.[Cl-]	165.70	unknown	via CMAUP database
> Organic oxygen compounds / Organic oxoanionic compounds / Organic thiosulfates
Hydroxy-oxo-prop-2-enoxy-sulfanylidene-lambda6-sulfane	11469380	Click to see C=CCOS(=O)(=S)O	154.21	unknown	https://doi.org/10.1271/BBB.67.1594
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols
Allyl alcohol	7858	Click to see C=CCO	58.08	unknown	via CMAUP database
Ethanol	702	Click to see CCO	46.07	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
Isopropyl Alcohol	3776	Click to see CC(C)O	60.10	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / C-glycosyl compounds
3,6-bis(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione	129628330	Click to see C(C1C(C(C(C(O1)(C2(C(=O)OC(C(=O)O2)CO)CO)O)O)O)O)O	354.26	unknown	https://doi.org/10.1271/BBB1961.49.1187
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
Digalactosyl diglyceride	102565455	Click to see C(COCCCOC1C(C(C(C(O1)CO)O)O)O)COC2C(C(C(C(O2)CO)O)O)O	458.50	unknown	https://doi.org/10.1271/BBB1961.49.1187
Sucrose	5988	Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O	342.30	unknown	https://doi.org/10.1002/PTR.2650070514
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
7-O-Methylaloesin	5319505	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)O)OC	408.40	unknown	via CMAUP database
Eugenol gentiobioside	10390778	Click to see COC1=C(C=CC(=C1)CC=C)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O	488.50	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
Acemannan	72041	Click to see CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2OC(=O)C)O)OC3C(OC(C(C3OC(=O)C)O)OC4C(OC(C(C4OC(=O)C)O)OC)CO)CO)CO)CO)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)C(=O)[O-])OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)OC)OC(=O)C)O)OC(=O)C)O)OC(=O)C)O)OC(=O)C)O)O	1691.50	unknown	via CMAUP database
Amylose	871	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O	504.40	unknown	https://doi.org/10.1002/PTR.2650070514
Beta-Glucan	439262	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O	504.40	unknown	via CMAUP database
Gal(a1-6)D-Ido(a1-6)Glc(a1-2b)Psif	132990894	Click to see C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4(C(C(C(O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O	666.60	unknown	https://doi.org/10.1002/PTR.2650070514
Glc(a1-4)L-Glc(a1-4)L-Glc	134731361	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O	504.40	unknown	https://doi.org/10.1002/PTR.2650070514
Raffinose	439242	Click to see C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O	504.40	unknown	https://doi.org/10.1002/PTR.2650070514
Stachyose	439531	Click to see C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4(C(C(C(O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O	666.60	unknown	https://doi.org/10.1002/PTR.2650070514
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives / Glucuronic acid derivatives
alpha-D-GALACTURONIC ACID	445929	Click to see C1(C(C(OC(C1O)O)C(=O)O)O)O	194.14	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes
3-(Methylthio)propionaldehyde	18635	Click to see CSCCC=O	104.17	unknown	via CMAUP database
Valeraldehyde	8063	Click to see CCCCC=O	86.13	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Short-chain aldehydes
Acetaldehyde	177	Click to see CC=O	44.05	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated aldehydes / Enals
(E)-3-(prop-2-enyldisulfanyl)prop-2-enal	5317516	Click to see C=CCSSC=CC=O	160.30	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
2-Methyldodecan-5-one	5319599	Click to see CCCCCCCC(=O)CCC(C)C	198.34	unknown	via CMAUP database
Acetone	180	Click to see CC(=O)C	58.08	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Enols
Propen-2-ol	141483	Click to see CC(=C)O	58.08	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Chromones
Isoeugenitol	5318562	Click to see CC1=CC(=O)C2=C(C=C(C(=C2O1)C)O)O	206.19	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzopyrans / 2-benzopyrans
8-hydroxy-7-methoxy-3-methyl-1H-isochromen-4-one	71455856	Click to see CC1C(=O)C2=C(CO1)C(=C(C=C2)OC)O	208.21	unknown	https://doi.org/10.1055/S-2006-960087
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Aminopyrimidines and derivatives
Allithiamine	3037212	Click to see CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCC=C)C	354.50	unknown	via CMAUP database
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(E)-2-(ethenyldisulfanyl)-4-hydroxybut-1-enyl]formamide	5458875	Click to see CC1=NC=C(C(=N1)N)CN(C=C(CCO)SSC=C)C=O	326.40	unknown	via CMAUP database
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
2(5H)-Furanone, 4-bromo-5-(bromomethylene)-, (5Z)-	10131246	Click to see C1=C(C(=CBr)OC1=O)Br	253.88	unknown	via CMAUP database
Ascorbic Acid	54670067	Click to see C(C(C1C(=C(C(=O)O1)O)O)O)O	176.12	unknown	via CMAUP database
> Organoheterocyclic compounds / Dithianes
1,3-Dithiane	10451	Click to see C1CSCSC1	120.20	unknown	via CMAUP database
> Organoheterocyclic compounds / Dithiins
1,2-Dithiin	12044565	Click to see C1=CSSC=C1	116.20	unknown	via CMAUP database
2-Vinyl-4H-1,3-dithiine	133337	Click to see C=CC1SCC=CS1	144.30	unknown	via CMAUP database
> Organoheterocyclic compounds / Dithiolanes / 1,2-dithiolanes
1,2-Dithiolane	79045	Click to see C1CSSC1	106.21	unknown	via CMAUP database
> Organoheterocyclic compounds / Dithioles / 1,2-dithioles
3-Methyl-3H-1,2-dithiole	5319598	Click to see CC1C=CSS1	118.20	unknown	via CMAUP database
4-Methyl-1,2-dithiacyclopentene	5319597	Click to see CC1=CSSC1	118.20	unknown	via CMAUP database
5-methyl-3H-dithiole	5319596	Click to see CC1=CCSS1	118.20	unknown	via CMAUP database
> Organoheterocyclic compounds / Heteroaromatic compounds
2-Ethylthiophene	13388	Click to see CCC1=CC=CS1	112.19	unknown	via CMAUP database
2-Vinylthiophene	519642	Click to see C=CC1=CC=CS1	110.18	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives
(2S)-2-ammonio-3-(1H-indol-3-yl)propanoate	6923516	Click to see C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])[NH3+]	204.22	unknown	via CMAUP database
D-Tryptophan	9060	Click to see C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N	204.22	unknown	via CMAUP database
Tryptophan	6305	Click to see C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N	204.22	unknown	https://doi.org/10.1016/0378-8741(96)01416-X
> Organoheterocyclic compounds / Indoles and derivatives / Pyrroloindoles
Alline	73124019	Click to see CN1CCC2(C1NC3=CC=CC=C32)O	190.24	unknown	https://doi.org/10.1016/S0944-7113(96)80043-2
> Organoheterocyclic compounds / Indoles and derivatives / Tryptamines and derivatives
Dimethyltryptamine	6089	Click to see CN(C)CCC1=CNC2=CC=CC=C21	188.27	unknown	via CMAUP database
> Organoheterocyclic compounds / Isoindoles and derivatives / Isoindolines / Isoindolones
(2E)-(2-Ethyl-3-oxo-2,3-dihydro-1H-isoindol-1-ylidene)acetaldehyde	11735809	Click to see CCN1C(=CC=O)C2=CC=CC=C2C1=O	201.22	unknown	via CMAUP database
> Organoheterocyclic compounds / Pyrans / Pyranones and derivatives
Allixin	86374	Click to see CCCCCC1=C(C(=O)C(=C(O1)C)OC)O	226.27	unknown	https://doi.org/10.1248/CPB.37.1656 https://doi.org/10.1248/CPB.50.405 https://doi.org/10.1016/S0024-3205(97)00687-5
> Organoheterocyclic compounds / Pyridines and derivatives / Hydroxypyridines
6-(Hydroxymethyl)pyridin-3-ol	419490	Click to see C1=CC(=NC=C1O)CO	125.13	unknown	via CMAUP database
> Organoheterocyclic compounds / Pyridines and derivatives / Methylpyridines
(5-Hydroxy-4,6-dimethylpyridin-3-yl)methyl phosphate	104817	Click to see CC1=C(C(=NC=C1COP(=O)([O-])[O-])C)O	231.14	unknown	via CMAUP database
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridine carboxaldehydes / Pyridoxals and derivatives
Pyridoxal	1050	Click to see CC1=NC=C(C(=C1O)C=O)CO	167.16	unknown	via CMAUP database
Pyridoxal phosphate	1051	Click to see CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O	247.14	unknown	via CMAUP database
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridoxamines / Pyridoxamine 5-phosphates
4-(Azaniumylmethyl)-5-(hydroxymethyl)-2-methylpyridin-3-olate	11205997	Click to see CC1=NC=C(C(=C1[O-])C[NH3+])CO	168.19	unknown	via CMAUP database
Pyridoxamine phosphate	1053	Click to see CC1=NC=C(C(=C1O)CN)COP(=O)(O)O	248.17	unknown	via CMAUP database
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridoxines
[3-Hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyloxidanium;chloride	88396073	Click to see CC1=NC=C(C(=C1O)C[OH2+])CO.[Cl-]	205.64	unknown	via CMAUP database
Pyridoxine	1054	Click to see CC1=NC=C(C(=C1O)CO)CO	169.18	unknown	via CMAUP database
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridoxines / Pyridoxine-5-phosphates
[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl phosphate	24794348	Click to see CC1=NC=C(C(=C1O)CO)COP(=O)([O-])[O-]	247.14	unknown	via CMAUP database
Pyridoxine phosphate	1055	Click to see CC1=NC=C(C(=C1O)CO)COP(=O)(O)O	249.16	unknown	via CMAUP database
> Organoheterocyclic compounds / Trithiolanes
3,5-Diethyl-1,2,4-trithiolane	520895	Click to see CCC1SC(SS1)CC	180.40	unknown	via CMAUP database
cis-3,5-Diethyl-1,2,4-trithiolane	6431294	Click to see CCC1SC(SS1)CC	180.40	unknown	via CMAUP database
trans-3,5-Diethyl-1,2,4-trithiolane	6432398	Click to see CCC1SC(SS1)CC	180.40	unknown	via CMAUP database
> Organometallic compounds / Organometalloid compounds / Organoselenium compounds / Selenoethers
Dimethyl selenide	11648	Click to see C[Se]C	109.04	unknown	via CMAUP database
> Organosulfur compounds
[(E)-but-2-enyl]-hydroxy-sulfanylidene-lambda4-sulfane	88354352	Click to see CC=CCS(=S)O	136.20	unknown	https://doi.org/10.1055/S-2006-960087 https://doi.org/10.1021/NP50074A014
Allyl trans-1-propenethiosulfinate	129826834	Click to see CC=CS(=S)OCC=C	162.30	unknown	https://doi.org/10.1021/NP50074A014
Methyl trans-1-propenethiosulfinate	129826759	Click to see CC=CS(=S)OC	136.20	unknown	https://doi.org/10.1021/NP50074A014
Methyl-prop-2-enoxy-sulfanylidene-lambda4-sulfane	10285798	Click to see CS(=S)OCC=C	136.20	unknown	https://doi.org/10.1055/S-2006-960118 https://doi.org/10.1055/S-2006-960087
Prop-2-enoxy-propyl-sulfanylidene-lambda4-sulfane	54041381	Click to see CCCS(=S)OCC=C	164.30	unknown	https://doi.org/10.1055/S-2006-960087
> Organosulfur compounds / Allyl sulfur compounds
(E)-1-Propenyl 2-propenyl disulfide	5352907	Click to see CC=CSSCC=C	146.30	unknown	via CMAUP database
1-(Prop-2-enyldisulfanyl)prop-1-ene	529761	Click to see CC=CSSCC=C	146.30	unknown	https://doi.org/10.1016/0021-9673(94)80162-2
Allyl Mercaptan	13367	Click to see C=CCS	74.15	unknown	via CMAUP database
Allyl methyl disulfide	62434	Click to see CSSCC=C	120.20	unknown	https://doi.org/10.1055/S-2007-969089 https://doi.org/10.1021/JF00059A033 https://doi.org/10.1016/0021-9673(94)80162-2 https://doi.org/10.1021/JF00025A008 https://doi.org/10.1021/JF9803076
Allyl methyl sulfide	66282	Click to see CSCC=C	88.17	unknown	via CMAUP database
Allyl methyl tetrasulfide	525329	Click to see CSSSSCC=C	184.40	unknown	via CMAUP database
Allyl pentasulfide	10131025	Click to see C=CCSSSSSCC=C	242.50	unknown	https://doi.org/10.1055/S-2006-961517
Allyl prop-1-enyl disulfide	5352855	Click to see CC=CSSCC=C	146.30	unknown	https://doi.org/10.1016/0021-9673(94)80162-2
Allyl propyl disulfide	16591	Click to see CCCSSCC=C	148.30	unknown	https://doi.org/10.1021/JF00059A033
Allyl propyl sulfide	98781	Click to see CCCSCC=C	116.23	unknown	https://doi.org/10.1021/JF9803076
Di-2-propenyl heptasulfide	53854515	Click to see C=CCSSSSSSSCC=C	306.60	unknown	https://doi.org/10.1055/S-2006-961517
Diallyl disulfide	16590	Click to see C=CCSSCC=C	146.30	unknown	https://doi.org/10.1111/J.1365-2621.1985.TB13047.X https://doi.org/10.1007/S10495-006-0024-X https://doi.org/10.1021/JF00034A054 https://doi.org/10.1111/J.1600-0536.1996.TB02217.X https://doi.org/10.1099/0022-1317-50-7-646 https://doi.org/10.1016/S0944-7113(00)80010-0 https://doi.org/10.1002/CNCR.22888 https://doi.org/10.1002/PTR.2650020310 https://doi.org/10.1016/0021-9673(94)80162-2 https://doi.org/10.1002/TOX.20737 https://doi.org/10.1158/1535-7163.MCT-05-0152 https://doi.org/10.1021/NP0503350 https://doi.org/10.1271/BBB.61.1482 https://doi.org/10.1021/JF00059A033 https://doi.org/10.1055/S-2007-969089 https://doi.org/10.1016/S0021-9673(00)91342-6 https://doi.org/10.1021/JF9803076 https://doi.org/10.1021/JF0346758
Diallyl hexasulfide	9882013	Click to see C=CCSSSSSSCC=C	274.50	unknown	https://doi.org/10.1055/S-2006-961517
Diallyl sulfide	11617	Click to see C=CCSCC=C	114.21	unknown	https://doi.org/10.1007/S10495-006-0024-X https://doi.org/10.1099/0022-1317-50-7-646 https://doi.org/10.1002/CNCR.22888 https://doi.org/10.1016/0021-9673(94)80162-2 https://doi.org/10.1002/TOX.20737 https://doi.org/10.1007/BF00416666 https://doi.org/10.1016/0378-4274(92)90288-U https://doi.org/10.1021/JF00059A033 https://doi.org/10.1021/JF00025A008 https://doi.org/10.1055/S-2007-969089 https://doi.org/10.1016/J.FCT.2003.08.015 https://doi.org/10.1016/S0021-9673(00)91342-6 https://doi.org/10.1021/JF9803076 https://doi.org/10.1080/01635589109514116 https://doi.org/10.1002/ARDP.18922300604
Diallyl tetrasulfide	75552	Click to see C=CCSSSSCC=C	210.40	unknown	https://doi.org/10.1055/S-2006-961517 https://doi.org/10.1099/0022-1317-50-7-646 https://doi.org/10.1021/NP0503350
Ethyl 2-propenesulfinate	6366717	Click to see CCOS(=O)CC=C	134.20	unknown	https://doi.org/10.1021/JF00025A008
Methyl 2-propenyl pentasulfide	528713	Click to see CSSSSSCC=C	216.40	unknown	via CMAUP database
Methyl allyl thiosulfinate	129712276	Click to see COS(=O)SCC=C	152.20	unknown	https://doi.org/10.1055/S-2006-960118
Prop-2-enyl-propoxy-sulfanylidene-lambda4-sulfane	163192642	Click to see CCCOS(=S)CC=C	164.30	unknown	https://doi.org/10.1055/S-2006-960087
> Organosulfur compounds / Organic disulfides
3-Vinyl-4H-1,2-dithiin	150636	Click to see C=CC1CC=CSS1	144.30	unknown	via CMAUP database
Dipropenyldisulfid	171311	Click to see CC=CSSC=CC	146.30	unknown	https://doi.org/10.1016/0021-9673(94)80162-2
Disulfide, di-1-propenyl	6428452	Click to see CC=CSSC=CC	146.30	unknown	https://doi.org/10.1016/0021-9673(94)80162-2
Methyl propenyl disulfide	5366552	Click to see CC=CSSC	120.20	unknown	https://doi.org/10.1016/0021-9673(94)80162-2
> Organosulfur compounds / Organic disulfides / Dialkyldisulfides
Diisopropyl disulfide	77932	Click to see CC(C)SSC(C)C	150.30	unknown	via CMAUP database
Dimethyl Disulfide	12232	Click to see CSSC	94.20	unknown	via CMAUP database
Dipropyl disulfide	12377	Click to see CCCSSCCC	150.30	unknown	https://doi.org/10.1002/PTR.4725
Methyl propyl disulfide	16592	Click to see CCCSSC	122.30	unknown	via CMAUP database
> Organosulfur compounds / Organic trisulfides
1-(Prop-2-enyltrisulfanyl)prop-1-ene	529905	Click to see CC=CSSSCC=C	178.30	unknown	https://doi.org/10.1021/JF9803076
6-ethenyl-4H-trithiine	5315241	Click to see C=CC1=CCSSS1	162.30	unknown	via CMAUP database
Allyl methyl trisulfide	61926	Click to see CSSSCC=C	152.30	unknown	https://doi.org/10.1055/S-2007-969089 https://doi.org/10.1021/JF9803076 https://doi.org/10.1021/JF00025A008 https://doi.org/10.1016/0021-9673(94)80162-2
Diallyl trisulfide	16315	Click to see C=CCSSSCC=C	178.30	unknown	https://doi.org/10.1080/01635589709514617 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4320349/ https://doi.org/10.1099/0022-1317-50-7-646 https://doi.org/10.1016/S0944-7113(00)80010-0 https://doi.org/10.1002/PTR.2650020310 https://doi.org/10.1016/0021-9673(94)80162-2 https://doi.org/10.1002/TOX.20737 https://doi.org/10.1055/S-2006-961517 https://doi.org/10.1271/BBB.61.1482 https://doi.org/10.1021/JF00059A033 https://doi.org/10.1021/JF00025A008 https://doi.org/10.1055/S-2007-969089 https://doi.org/10.1016/S0021-9673(00)91342-6 https://doi.org/10.4161/CBT.8.22.9882 https://doi.org/10.1021/JF9803076 https://doi.org/10.1016/0049-3848(83)90027-0
Dimethyl trisulfide	19310	Click to see CSSSC	126.30	unknown	via CMAUP database
Methyl propyl trisulfide	5319765	Click to see CCCSSSC	154.30	unknown	via CMAUP database
> Organosulfur compounds / Sulfenyl compounds
Dimethyl tetrasulfide	79828	Click to see CSSSSC	158.30	unknown	via CMAUP database
Dipropyl tetrasulfide	104285	Click to see CCCSSSSCCC	214.40	unknown	via CMAUP database
> Organosulfur compounds / Sulfonyls
S-2-Propenyl 2-propene-1-sulfonothioate	85776791	Click to see C=CCSS(=O)(=O)CC=C	178.30	unknown	https://doi.org/10.1021/JF011182Z
> Organosulfur compounds / Sulfonyls / Sulfones
(E)-3-(prop-2-enyldisulfanyl)-1-prop-2-enylsulfonylprop-1-ene	5322033	Click to see C=CCSSCC=CS(=O)(=O)CC=C	250.40	unknown	via CMAUP database
> Organosulfur compounds / Sulfoxides
(E)-1-(prop-2-enyldisulfanyl)-3-[(R)-prop-2-enylsulfinyl]prop-1-ene	76962524	Click to see C=CCSSC=CCS(=O)CC=C	234.40	unknown	https://doi.org/10.1248/CPB.59.1340
(Z)-1-(prop-2-enyldisulfanyl)-3-[(R)-prop-2-enylsulfinyl]prop-1-ene	76960957	Click to see C=CCSSC=CCS(=O)CC=C	234.40	unknown	via CMAUP database
(Z)-Ajoene	9881148	Click to see C=CCSSC=CCS(=O)CC=C	234.40	unknown	https://doi.org/10.1271/BBB.62.1014
1-(Prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene	72373	Click to see C=CCSSC=CCS(=O)CC=C	234.40	unknown	https://doi.org/10.1248/CPB.59.1340
Ajoene	5386591	Click to see C=CCSSC=CCS(=O)CC=C	234.40	unknown	https://doi.org/10.1271/BBB.62.1014 https://doi.org/10.1080/01635589109514116
Z-4,9-Diene-2,3,7-trithiadeca-7-oxide	5316672	Click to see CSSC=CCS(=O)CC=C	208.40	unknown	via CMAUP database
> Organosulfur compounds / Thioacetals / Dithioacetals
1,3-Dithiole	5316944	Click to see C1SC=CS1	104.20	unknown	via CMAUP database
> Organosulfur compounds / Thioethers / Dialkylthioethers
Di((2H3)methyl) sulphide	2724139	Click to see CSC	68.17	unknown	via CMAUP database
Dimethyl sulfide	1068	Click to see CSC	62.14	unknown	via CMAUP database
Dipropyl sulfide	8118	Click to see CCCSCCC	118.24	unknown	via CMAUP database
> Organosulfur compounds / Thioethers / Thioenol ethers
Divinyl sulfide	12321	Click to see C=CSC=C	86.16	unknown	via CMAUP database
Ethyl Vinyl Sulfide	12320	Click to see CCSC=C	88.17	unknown	via CMAUP database
> Organosulfur compounds / Thiols / Alkylthiols
1-Propanethiol	7848	Click to see CCCS	76.16	unknown	via CMAUP database
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
Dihydrodehydroconiferyl alcohol, (7R,8S)-(-)-	5274623	Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CCCO	360.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives
N-trans-Feruloyloctopamine	24096391	Click to see COC1=C(C=CC(=C1)C=CC(=O)NCC(C2=CC=C(C=C2)O)O)O	329.30	unknown	https://doi.org/10.1021/JF034791A
> 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	via CMAUP database
cis-Caffeic acid	1549111	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	via CMAUP database
cis-p-Coumaric acid	1549106	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	via CMAUP database
cis-Sinapic acid	1549091	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O	224.21	unknown	via CMAUP database
Ferulic acid	445858	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O	194.18	unknown	https://doi.org/10.1021/JF034791A
p-Coumaric acid	637542	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	https://doi.org/10.1021/JF034791A
Sinapinic acid	637775	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O	224.21	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Pyranocoumarins / Angular pyranocoumarins
rac Dihydro Samidin	2841560	Click to see CC(C)CC(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C	388.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones
Apigenin-7-olate	25200950	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)[O-])O	269.23	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
> 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	via CMAUP database
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	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides
(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	https://doi.org/10.1016/S0308-8146(96)00116-1
3-[(2S,3R,4S,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-oxopropanoic acid	163187832	Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)OC(=O)CC(=O)O)O)O)O)O)O	535.40	unknown	https://doi.org/10.1016/S0308-8146(96)00116-1
3-[[(2R,3S,4R,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid	154496402	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/S0308-8146(96)00116-1
Cyanidin 3-(3'',6''-dimalonylglucoside)	23724697	Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)OC(=O)CC(=O)O)O)O)O)O)O	621.50	unknown	https://doi.org/10.1016/S0308-8146(96)00116-1
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	https://doi.org/10.1016/S0308-8146(96)00116-1
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
3,3',4',5,5',7-Hexahydroxyflavone 3-O-Rhamnoside	44259441	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)O	464.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Pyranoisoflavonoids
3-(4-Hydroxyphenyl)-5-methoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one	10545788	Click to see CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C(=CO3)C4=CC=C(C=C4)O)C	350.40	unknown	https://doi.org/10.1055/S-2006-960087
> Phenylpropanoids and polyketides / Macrolactams
Desferrioxamine X5	85625752	Click to see C1CCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCNC(=O)CCC(=O)NCC1)O)O	598.70	unknown	https://doi.org/10.1271/BBB1961.49.1187
> Phenylpropanoids and polyketides / Ochratoxins and related substances
(R)N-(5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)phenylalanine	4580	Click to see CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl	403.80	unknown	via CMAUP database

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Allium sativum

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