Scientific name	Authority	First published in
Rhamphospermum volgense	Andrz. ex Rupr.	Fl. Ingrica : 97 (1860)
Sinapis sinensis	J.F.Gmel.	Syst. Nat. ed. 13[bis] : 989 (1792)
Sinapis tenella	Moench	Methodus : 253 (1794)
Sinabraca juncea	(L.) G.H.Loos	Florist. Rundbr., Beih. 7: 131 (2004)
Sinapis oleracea	C.Presl	Delic. Prag. : 18 (1822)
Sinapis integrifolia	H.West	Bidr. Beskr. Ste Croix : 296 (1793)
Sinapis juncea	L.	Sp. Pl. : 668 (1753)
Sinapis japonica	Thunb.	Fl. Jap. (Thunberg) 262. 1784 [Aug 1784]
Sinapis brassica	L.	Syst. Nat. ed. 12 , 3: 231 (1768)
Brassica argyi	H.Lév.	Repert. Spec. Nov. Regni Veg. 4: 227 (1907)
Brassica arvensis var. juncea	Kuntze	Trudy Imp. S.-Peterburgsk. Bot. Sada 10: 164 (1887)
Brassica besseriana	Andrz. ex Trautv.	Bull. Soc. Imp. Naturalistes Moscou 33(I): 134 (1860)
Brassica cernua	Matsum.	Nippon Shokubutsumeii, ed. 2 (1895) 52.
Brassica cernua var. chirimenna	Makino	Somoku-Dzusetsu ed. 3, 3: 906 1912
Brassica chenopodiifolia	Sennen & Pau	Bol. Soc. Aragonesa Ci. Nat. 1916, xv. 95.
Brassica chinensis f. japonica	(Sieb. ex Miq.) M.Hiroe	Pl. Basho's & Buson's Hokku Lit. 8(1): 143 (1971)
Brassica integrifolia	(H.West) Rupr.	Fl. Ingrica : 96 (1860)
Brassica integrifolia var. timoriana	(DC.) O.E.Schulz	Pflanzenr. IV, 105(70): 58 1919
Brassica japonica	Siebold ex Miq.	Ann. Mus. Bot. Lugduno-Batavi 2: 74 (1865)
Brassica juncea var. aspera	(Prain) O.E.Schulz	Pflanzenr. IV, 105(70): 56 1919
Brassica juncea var. chinensis	(L.) N.Busch	Fl. Sibir. Orient. Extr. 1: 166 1913
Brassica juncea var. elata	(Prain) O.E.Schulz	Pflanzenr. IV, 105(70): 56 1919
Brassica juncea subsp. integrifolia	(West) Thell.	Verh. Bot. Vereins Prov. Brandenburg 50(2): 157 1908
Brassica juncea var. laevis	(Prain) O.E.Schulz	Pflanzenr. IV, 105(70): 56 1919
Brassica juncea var. napiformis	(Pailleux & Bois) Kitam.	Mem. Coll. Sci. Kyoto Imp. Univ., Ser. B, Biol. 19: 76 1950
Brassica juncea subsp. napiformis	(Paillieux & Bois) Gladis	Feddes Repert. 103: 474 (1992)
Brassica juncea var. oleifera	Prain	Agric. Ledger 1: 47 1898
Brassica juncea var. tsatsai	Z.I.Mao	Hortus Sinicus 2: 690 1936
Brassica juncea subsp. tsatsai	(Mao) Gladis	Feddes Repert. 103: 474 (1992)
Brassica juncea var. tumida	Tsen & S.H.Lee	Hort. Sin. 2: 23 1942
Brassica lanceolata	Lange	Fl. Dan. : t. 2658 (1861)
Brassica lanceolata	Sauv.	Fl. Cub. 2 1869
Brassica napiformis	(Paill. & Bois) L.H.Bailey	Stand. Cycl. Hort. i. 543 (1914).
Brassica richerii	Lange	Fl. Dan. : t. 2658 (1861)
Brassica rugosa	Prain	Bengal Pl. : 220 (1903)
Brassica taquetii	H.Lév.	Repert. Spec. Nov. Regni Veg. 10: 349 (1912)
Brassica urbaniana	O.E.Schulz	Symb. Antill. 3: 511 (1903)
Brassica willdenovii	Boiss.	Ann. Sci. Nat., Bot. , sér. 2, 17: 88 (1842)
Crucifera juncea	E.H.L.Krause	Deutschl. Fl. Abbild. , ed. 2, 6: 133 (1902)
Sinapis juncea var. napiformis	Pailleux & Bois	Potag. Cur. , ed. 2: 372 (1892)
Brassica juncea var. crispifolia	L.H.Bailey	Gentes Herb. 1: 91 1922
Brassica juncea var. foliosa	L.H.Bailey	Gentes Herb. 2: 263 1930
Brassica juncea var. gracilis	Tsen & S.H.Lee	Hortus Sinicus 2: 26 1942
Brassica juncea var. japonica	(Thunb.) L.H.Bailey	Gentes Herbarum 1(2): 93, t. 40. 1922 [18 Dec 1922]
Brassica juncea var. longidens	L.H.Bailey	Gentes Herb. 2: 263 1930
Brassica juncea var. megarrhiza	Tsen & S.H.Lee	Hortus Sinicus 2: 21 1942
Brassica juncea var. multiceps	Tsen & S.H.Lee	Hortus Sinicus 2: 20 1942
Brassica juncea var. multisecta	L.H.Bailey	Gentes Herb. 1: 93 1922
Brassica napiformis var. multisecta	A.I.Baranov	Feddes Repert. Spec. Nov. Regni Veg. 63: 286 1960
Sinapis cuneifolia	Roxb.	Fl. Ind. ed. 1832 , 3: 121 (1832)
Sinapis ramosa	Roxb. ex Flem.	Asiat. Res. 11: 179. 1810
Raphanus junceus	Crantz	Cl. Crucif. Emend. : 110 (1769)
Sinapis timoriana	DC.	Syst. Nat. 2: 616 (1821)
Brassica juncea subsp. rugosa	(Roxb.) Prain	Agric. Ledger 5: 47. 1898
Brassica juncea var. gemmifera	Lee & Lin
Brassica juncea var. linearifolia	Y.Z.Sun
Brassica cernua	(Thunb.) F.B.Forbes & Hemsl.	J. Linn. Soc., Bot. 23: 47 1886
Brassica juncea var. crassicaulis	Chen & Yang
Brassica juncea var. involutus	Yang & Chen
Brassica juncea var. longipetiolatus	Yang & Chen
Brassica juncea var. strumata	Tsen & S.H.Lee
Sinapis cernua	Thunb.	Syst. Veg. ed. 14 : 602 (1784)
Brassica juncea var. integrifolia	(Stokes) Sinskaya
Sinapis chinensis var. integrifolia	Stokes
Brassica juncea var. longipes	Tsen & S.H.Lee
Brassica juncea var. rugosa	(Roxb.) Kitam.
Sinapis rugosa	Roxb.	Fl. Ind. ed. 1832 , 3: 122 (1832)
Brassica juncea var. subintegrifolia	Sinskaya
Sinapis lanceolata	DC.	Syst. Nat. 2: 611 (1821)
Brassica rugosa	(Roxb.) L.H.Bailey
Sinapis patens	Roxb.	Fl. Ind. ed. 1832 , 3: 124 (1832)
Sinapis ramosa	Roxb.
Sinapis chinensis	L.	Mant. Pl. : 95 (1767)

Common names Top

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Filter by language:

Language	Common/alternative name
English	brown mustard
English	chinese mustard
English	india mustard
English	indian mustard
English	leaf mustard
English	gai choy
English	oriental mustard
English	vegetable mustard
Arabic	خردل هندي
Azerbaijani	sarpet xardalı
azb	سارپت خاردالی
Belarusian	гарчыца сарэпцкая
Bulgarian	сарепска горчица
Bengali	লাই শাক
Catalan	mostassa bruna
cdo	gái-chái
Czech	brukev sítinovitá
Welsh	mwstard tsieina
Danish	sareptasennep
German	ruten-kohl
German	indischer senf
German	rutenkohl
German	sareptasenf
German	brauner senf
dv	މުށި ރެވި
Esperanto	bruna sinapo
Estonian	sarepta kapsasrohi
Persian	خردل چینی
Finnish	sareptansinappi
French	moutarde brune
frr	brün senep
Gujarati	રાયડો
Hebrew	חרדל חום
Hindi	राई
Hungarian	barna mustár
Hungarian	indiai mustár
Hungarian	indiairépa
Hungarian	oroszrépa
Hungarian	szareptai mustár
Armenian	Մանանեխ սարեպտական
Indonesian	brown mustard
Indonesian	green mustard
Indonesian	indian mustard
Indonesian	mustar india
Indonesian	sesawi coklat
Icelandic	sinnepskál
Japanese	芥子泥
Japanese	オリエンタルマスタード
Japanese	からしな
Japanese	からし菜
Japanese	カラシ菜
Japanese	セイヨウカラシナ
Japanese	芥子菜
Japanese	カラシナ
Kazakh	Сарепт қышасы
Korean	갓
Latvian	zilganā sinepe
Latvian	sareptas sinepe
Malay	pokok sawi
Malay	sawi
Burmese	မုန်ညင်းဖြူ
nan	koà-chhài
Norwegian Bokmål	sennepskål
Nepali	रायो
Dutch	sareptamosterd
Dutch	bruine mosterd
Dutch	indische bruine mosterd
Punjabi	ਰਾਈ
Polish	gorczyca sarepska
Polish	kapusta sarepska
Polish	kapusta sitowa
Polish	kapusta sitowata
Punjab	توریا
Portuguese	mostarda-chinesa
Portuguese	mostarda-da-índia
Portuguese	mostarda-oriental
Portuguese	mostarda-castanha
Russian	Горчица сарептская
Slovenian	sareptska ogrščica
Slovenian	ruska ogrščica
Slovenian	rjava ogrščica
Swedish	sarepsasenap
Swedish	sareptasenap
syl	ꠢꠂꠞꠅ
syl	ꠟꠣꠁ ꠢꠣꠉ
szy	kulang
Tamil	கடுகுக் கீரை
Telugu	భారతీయ ఆవాలు
Ukrainian	гірчиця салатна
Vietnamese	cải bẹ xanh
za	byaekgat
Chinese	芥子
Chinese	芥菜
Chinese	菘菜子
Chinese	陈芥菜卤汁
Chinese	芥
Chinese	芥菜(芥、苦菜)
Chinese	盖菜
Chinese	長年菜

Subspecies (abbr. subsp./ssp.) Top

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Varieties (abbr. var.) Top

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Subvarieties (abbr. subvar.) Top

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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 click to expand
- East Tropical Africa
  - Kenya
  - Tanzania
- Northeast Tropical Africa
  - Djibouti
- Northern Africa
  - Algeria
  - Egypt
  - Libya
  - Tunisia
- South Tropical Africa
  - Angola
  - Malawi
  - Mozambique
  - Zimbabwe
- Southern Africa
  - Botswana
  - Cape Provinces
  - Free State
  - Kwazulu-Natal
  - Northern Provinces
- West Tropical Africa
  - Guinea
  - Ivory Coast
  - Mauritania
  - Sierra Leone
- West-central Tropical Africa
  - Central African Republic
  - Congo
  - Gabon
  - Gulf Of Guinea Islands
  - Rwanda
  - Zaïre
- Western Indian Ocean
  - Comoros
  - Mauritius
  - Rodrigues
  - Réunion

Asia-temperate click to expand
- Arabian Peninsula
  - Kuwait
  - Oman
  - Saudi Arabia
  - Yemen
- Caucasus
  - North Caucasus
  - Transcaucasus
- China
  - China North-central
  - China South-central
  - China Southeast
- Eastern Asia
  - Japan
  - Korea
  - Taiwan
- Middle Asia
  - Kazakhstan
  - Kirgizstan
  - Tadzhikistan
  - Turkmenistan
  - Uzbekistan
- Russian Far East
  - Amur
  - Khabarovsk
  - Kuril Islands
  - Primorye
  - Sakhalin
- Siberia
  - Altay
  - Buryatiya
  - Chita
  - Irkutsk
  - Krasnoyarsk
  - Tuva
  - West Siberia
- Western Asia
  - Afghanistan
  - Iran
  - Iraq

Asia-tropical click to expand
- Indian Subcontinent
  - Assam
  - Bangladesh
  - East Himalaya
  - India
  - Nepal
  - Pakistan
  - Sri Lanka
  - West Himalaya
- Indo-China
  - Andaman Islands
  - Cambodia
  - Nicobar Nicobar
  - Vietnam
- Malesia
  - Borneo
  - Jawa
  - Malaya
  - Maluku
  - Philippines
  - Sulawesi
- Papuasia
  - New Guinea

Australasia click to expand
- Australia
  - New South Wales
  - Norfolk Island
  - Queensland
  - South Australia
  - Western Australia
- New Zealand
  - New Zealand North

Europe click to expand
- 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
  - Hungary
- Northern Europe
  - Great Britain
  - Norway
  - Sweden
- Southeastern Europe
  - Bulgaria
  - Romania
- Southwestern Europe
  - France
  - Portugal
  - Spain

Northern America click to expand
- Eastern Canada
  - New Brunswick
  - Newfoundland
  - Nova Scotia
  - Ontario
  - Prince Edward Island
  - Québec
- Mexico
  - Mexico Central
  - Mexico Northwest
- 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
- Subarctic America
  - Alaska
  - Aleutian Islands
  - Northwest Territorie
- Western Canada
  - Alberta
  - British Columbia
  - Manitoba
  - Saskatchewan

Pacific click to expand
- North-central Pacific
  - Hawaii
- Northwestern Pacific
  - Caroline Islands
  - Marianas
- South-central Pacific
  - Cook Islands
  - Society Islands
- Southwestern Pacific
  - Gilbert Islands
  - New Caledonia
  - Niue
  - Vanuatu

Southern America click to expand
- Brazil
  - Brazil South
  - Brazil Southeast
  - Brazil West-central
- Caribbean
  - Bahamas
  - Bermuda
  - Cuba
  - Dominican Republic
  - Haiti
  - Jamaica
  - Leeward Islands
  - Trinidad-Tobago
  - Windward Islands
- Central America
  - Belize
  - Central American Pacific
  - Costa Rica
  - El Salvador
  - Guatemala
  - Nicaragua
- Northern South America
  - French Guiana
  - Venezuela
- Southern South America
  - Argentina Northeast
  - Argentina Northwest
  - Paraguay
- Western South America
  - Bolivia
  - Colombia
  - Peru

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000571186
UNII	A1TQJ1493U
Florida Plant Atlas	20
Flora of Alabama	1215
Canadensys	3921
USDA Plants	BRJU
Tropicos	4105206
INPN	86383
Flora of Italy	10006
KEW	urn:lsid:ipni.org:names:60442520-2
The Plant List	kew-2682298
Missouri Botanical Garden	278099
Open Tree Of Life	309279
Observations.org	6478
NCBI Taxonomy	3707
NBN Atlas	NHMSYS0000456599
Nature Serve	2.156514
IPNI	60442520-2
iNaturalist	64241
GBIF	3042751
Freebase	/m/06glhz
WisFlora	2783
EPPO	BRSJU
EOL	583919
Elurikkus	3169
Calflora (Californian flora)	1142
USDA GRIN	7654
Wikipedia	Brassica_juncea
CMAUP	NPO29007

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_018703725.1	ASM1870372v1	Chromosome	Hunan agricultural university	2021-06-04	98.0x	890.25 Mb

Scientific Literature Top

Below are displayed the latest 15 articles published in PMC (PubMed Central®) and other sources (DOI number only)!
If you wish to see all the related articles click here.

Title

Authors

Publication

Released

IDs

Volatile Hydrolysis Products of Glucosinolates Occurring in Leaves and Seeds from Two Varieties of Artificial<i>Brassica napus</i>

Yasushi Uda, Yoshio Ozawa, Yasuhiko Maeda

Oxford University Press (OUP)

13-Apr-2016

doi:	10.1080/00021369.1982.10865563

Quantification of glucosinolates, anthocyanins, free amino acids, and vitamin C in inbred lines of cabbage (Brassica oleracea L.).

Park S, Valan Arasu M, Lee MK, Chun JH, Seo JM, Lee SW, Al-Dhabi NA, Kim SJ

Food Chem

15-Feb-2014

doi:	10.1016/J.FOODCHEM.2013.08.010
PMID:	24128451

Heterodera schachtii nematodes interfere with aphid-plant relations on Brassica oleracea.

Hol WH, De Boer W, Termorshuizen AJ, Meyer KM, Schneider JH, Van Der Putten WH, Van Dam NM

J Chem Ecol

01-Sep-2013

PMCID:	PMC3790247
doi:	10.1007/S10886-013-0338-4
PMID:	24014097

MYB transcription factors regulate glucosinolate biosynthesis in different organs of Chinese cabbage (Brassica rapa ssp. pekinensis).

Kim YB, Li X, Kim SJ, Kim HH, Lee J, Kim H, Park SU

Molecules

22-Jul-2013

PMCID:	PMC6269701
doi:	10.3390/MOLECULES18078682
PMID:	23881053

Volatile constituents occurring in autolyzed leaves of three cruciferous vegetables.

Yasushi UDA, Yasuhiko MAEDA

Oxford University Press (OUP)

13-Jul-2011

doi:	10.1271/BBB1961.50.205

Determination of green leaf carotenoids by HPLC.

Shigeaki TAKAGI

Oxford University Press (OUP)

13-Jul-2011

doi:	10.1271/BBB1961.49.1211

Flower vs. leaf feeding by Pieris brassicae: glucosinolate-rich flower tissues are preferred and sustain higher growth rate.

Smallegange RC, van Loon JJ, Blatt SE, Harvey JA, Agerbirk N, Dicke M

J Chem Ecol

01-Oct-2007

PMCID:	PMC2039843
doi:	10.1007/S10886-007-9350-X
PMID:	17828429

Fate of Singrin in Methanol/Ammonia/Water‐Hexane Extraction of B. juncea Mustard Seed

FEREIDOON SHAHIDI, JACQUELINE‐ELIZABETH GABON

Wiley

26-Aug-2006

doi:	10.1111/J.1365-2621.1990.TB05233.X

Epithiospecifier protein from broccoli (Brassica oleracea L. ssp. italica) inhibits formation of the anticancer agent sulforaphane.

Matusheski NV, Swarup R, Juvik JA, Mithen R, Bennett M, Jeffery EH

J Agric Food Chem

22-Mar-2006

doi:	10.1021/JF0525277
PMID:	16536577

Glucosinolate content of seedlings, tissue cultures, and regenerant plants of Brassica juncea (Indian mustard)

Martin V. Palmer, Stella P. Yeung, Joseph P. Sang

American Chemical Society (ACS)

10-Mar-2005

doi:	10.1021/JF00074A024

Peroxynitrite scavenging activity of sinapic acid (3,5-dimethoxy-4-hydroxycinnamic acid) isolated from Brassica juncea.

Zou Y, Kim AR, Kim JE, Choi JS, Chung HY

J Agric Food Chem

09-Oct-2002

doi:	10.1021/JF020496Z
PMID:	12358454

Antioxidant effects of isorhamnetin 3,7-di-O-beta-D-glucopyranoside isolated from mustard leaf (Brassica juncea) in rats with streptozotocin-induced diabetes.

Yokozawa T, Kim HY, Cho EJ, Choi JS, Chung HY

J Agric Food Chem

11-Sep-2002

doi:	10.1021/JF0202133
PMID:	12207497

Direct and simultaneous analysis of sinigrin and allyl isothiocyanate in mustard samples by high-performance liquid chromatography.

Tsao R, Yu Q, Potter J, Chiba M

J Agric Food Chem

14-Aug-2002

doi:	10.1021/JF0200523
PMID:	12166955

Sinalexin, a phytoalexin from white mustard elicited by destruxin B and Alternaria brassicae

M. Soledade, C. Pedras, Kevin C. Smith

Elsevier BV

25-Jul-2002

doi:	10.1016/S0031-9422(97)00362-2

Brassilexin, a novel sulphur-containing phytoalexin from , (cruciferae)

Michel Devys, Michel Barbier, Isabelle Loiselet, Thierry Rouxel, Alain Sarniguet, Albert Kollmann, Jean-François Bousquet

Elsevier BV

25-Jul-2002

doi:	10.1016/S0040-4039(00)82369-2

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 / Benzene and substituted derivatives
Benzenepropanenitrile	12581	Click to see C1=CC=C(C=C1)CCC#N	131.17	unknown	via CMAUP database
Benzyl Isothiocyanate	2346	Click to see C1=CC=C(C=C1)CN=C=S	149.21	unknown	via CMAUP database
Phenethyl isothiocyanate	16741	Click to see C1=CC=C(C=C1)CCN=C=S	163.24	unknown	via CMAUP database
Phenyl isothiocyanate	7673	Click to see C1=CC=C(C=C1)N=C=S	135.19	unknown	via CMAUP database
Phenylethyl Alcohol	6054	Click to see C1=CC=C(C=C1)CCO	122.16	unknown	https://doi.org/10.1016/0031-9422(88)83085-1
> Benzenoids / Benzene and substituted derivatives / Benzenesulfonamides
Glimepiride	3476	Click to see CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C	490.60	unknown	via CMAUP database
> 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 / p-Hydroxybenzoic acid esters / p-Hydroxybenzoic acid alkyl esters
4-Hydroxybenzoylcholine	151252	Click to see C[N+](C)(C)CCOC(=O)C1=CC=C(C=C1)O	224.28	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylacetaldehydes
Phenylacetaldehyde	998	Click to see C1=CC=C(C=C1)CC=O	120.15	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylmethylamines
4-Hydroxybenzylamine	97472	Click to see C1=CC(=CC=C1CN)O	123.15	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylpropanes
Propylbenzene	7668	Click to see CCCC1=CC=CC=C1	120.19	unknown	https://doi.org/10.1271/BBB1961.50.205
> Benzenoids / Naphthalenes
Naphthalene	931	Click to see C1=CC=C2C=CC=CC2=C1	128.17	unknown	https://doi.org/10.1016/0031-9422(88)83085-1
> Benzenoids / Phenanthrenes and derivatives
Salutaridine	5408233	Click to see CN1CCC23C=C(C(=O)C=C2C1CC4=C3C(=C(C=C4)OC)O)OC	327.40	unknown	via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Hexadecane	11006	Click to see CCCCCCCCCCCCCCCC	226.44	unknown	https://doi.org/10.1271/BBB1961.50.205
Pentadecane	12391	Click to see CCCCCCCCCCCCCCC	212.41	unknown	https://doi.org/10.1271/BBB1961.50.205
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
Methyl dodecanoate	8139	Click to see CCCCCCCCCCCC(=O)OC	214.34	unknown	https://doi.org/10.1271/BBB1961.50.205
Methyl hexanoate	7824	Click to see CCCCCC(=O)OC	130.18	unknown	https://doi.org/10.1271/BBB1961.50.205
Methyl palmitate	8181	Click to see CCCCCCCCCCCCCCCC(=O)OC	270.50	unknown	https://doi.org/10.1271/BBB1961.50.205
Methyl tetradecanoate	31284	Click to see CCCCCCCCCCCCCC(=O)OC	242.40	unknown	https://doi.org/10.1271/BBB1961.50.205
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
Vaccenic acid, cis-	5282761	Click to see CCCCCCC=CCCCCCCCCCC(=O)O	282.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
2-Isopropyl-5-methylanisole	14104	Click to see CC1=CC(=C(C=C1)C(C)C)OC	164.24	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	via CMAUP database
DL-alpha-Tocopherol	2116	Click to see CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C	430.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
Antheraxanthin	5281223	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C	584.90	unknown	https://doi.org/10.1271/BBB1961.49.1211
Lutein	5281243	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C	568.90	unknown	https://doi.org/10.1271/BBB1961.49.1211
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
(3S,8R,9R,10R,13R,14R,17R)-17-[(2R)-6,6-dimethyl-5-methylideneheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	162995416	Click to see CC(CCC(=C)C(C)(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	412.70	unknown	https://doi.org/10.1016/0031-9422(83)80182-4
17-(5,6-dimethylhept-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	86576	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	398.70	unknown	https://doi.org/10.1016/S0031-9422(00)86991-5
24-Methylene,25-methylcholesta-5-en-3beta-ol	5283645	Click to see CC(CCC(=C)C(C)(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	412.70	unknown	https://doi.org/10.1016/0031-9422(83)80182-4
25-Methyl-24-methylenecholesterol	13889669	Click to see CC(CCC(=C)C(C)(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	412.70	unknown	https://doi.org/10.1016/0031-9422(83)80182-4
Brassicasterol	5281327	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	398.70	unknown	https://doi.org/10.1016/S0031-9422(00)86991-5
Crinosterol	5283660	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	398.70	unknown	https://doi.org/10.1016/S0031-9422(00)86991-5
> 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
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	via CMAUP database
Beta-Sitosterol	222284	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
> Organic Polymers / Polypeptides
NLS peptide	100941590	Click to see CC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)N1CCCC1C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C2CCCN2C(=O)C(CS)N	1326.60	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	via CMAUP database
(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
D-alanine	71080	Click to see CC(C(=O)O)N	89.09	unknown	via CMAUP database
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 acids
2-Azaniumylacetate	5257127	Click to see C(C(=O)[O-])[NH3+]	75.07	unknown	via CMAUP database
Nomega-Nitro-L-arginine	4367	Click to see C(CC(C(=O)O)N)CN=C(N)N[N+](=O)[O-]	219.20	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 / 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
> 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
(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-amino-5-(diaminomethylideneamino)pentanoic acid;hydron	88031296	Click to see [H+].C(CC(C(=O)O)N)CN=C(N)N	175.21	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
[(1S)-5-amino-1-carboxypentyl]azanium	24848423	Click to see C(CCN)CC(C(=O)O)[NH3+]	147.20	unknown	via CMAUP database
2-Amino-5-guanidino-pentanoic acid	444360	Click to see C(CC(C(=O)O)[NH3+])C[NH+]=C(N)N	176.22	unknown	via CMAUP database
Arginine	6322	Click to see C(CC(C(=O)O)N)CN=C(N)N	174.20	unknown	via CMAUP database
L-threoninate	5460797	Click to see CC(C(C(=O)[O-])N)O	118.11	unknown	via CMAUP database
> 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
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Aspartic acid and derivatives
[3H]L-aspartic acid	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
D-Aspartic acid	83887	Click to see C(C(C(=O)O)N)C(=O)O	133.10	unknown	via CMAUP database
> 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
> 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-	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
(2R,3R)-2-ammonio-3-methylpentanoate	6950183	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
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Leucine and derivatives
(2S)-2-azaniumyl-4-methylpentanoate	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
> 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
L-methioninate	5460892	Click to see CSCCC(C(=O)[O-])N	148.21	unknown	via CMAUP database
> 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
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)-pyrrolidin-1-ium-2-carboxylate	6971047	Click to see C1CC([NH2+]C1)C(=O)[O-]	115.13	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
> 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	via CMAUP database
> 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
> 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
> 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
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Cysteine and derivatives
(2R)-2-ammonio-3-mercaptopropanoate	6419722	Click to see C(C(C(=O)[O-])[NH3+])S	121.16	unknown	via CMAUP database
(2S)-2-ammonio-3-mercaptopropanoate	6419721	Click to see C(C(C(=O)[O-])[NH3+])S	121.16	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / N-acyl-alpha amino acids
N-Oleoylsarcosine	5879967	Click to see CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)O	353.50	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides / Oligopeptides
2-((Aminoacetyl)amino)-N~1~-(2-((2-((2-((2-amino-1-methyl-2-oxoethyl)amino)-1-(hydroxymethyl)-2-oxoethyl)amino)-1-methyl-2-oxoethyl)amino)-1-methyl-2-oxoethyl)succinamide	360126	Click to see CC(C(=O)N)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)CN	488.50	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
[(2S)-2-[(1S,3Z,7E,11R,12E,15S)-11,17-dihydroxy-1,4,8,12-tetramethyl-18-oxo-16-bicyclo[13.3.0]octadeca-3,7,12,16-tetraenyl]propyl] acetate	10599418	Click to see CC1=CCCC(=CCC2(C(CC=C(C(CC1)O)C)C(=C(C2=O)O)C(C)COC(=O)C)C)C	444.60	unknown	via CMAUP database
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Tertiary amines / Tertiary alkylarylamines
2-Phenylisoquinoline	5320529	Click to see C1C2=CC=CC=C2C=CN1C3=CC=CC=C3	207.27	unknown	via CMAUP database
> Organic nitrogen compounds / Organonitrogen compounds / Organic cyanides / Nitriles
(S)-(+)-2-Methylbutyronitrile	642159	Click to see CCC(C)C#N	83.13	unknown	via CMAUP database
2-Methylbutyronitrile	29339	Click to see CCC(C)C#N	83.13	unknown	via CMAUP database
3-Pentenenitrile	5324707	Click to see CC=CCC#N	81.12	unknown	via CMAUP database
3-Pentenenitrile, (3Z)-	12468300	Click to see CC=CCC#N	81.12	unknown	via CMAUP database
Butanenitrile, 4-(methylthio)-	100962	Click to see CSCCCC#N	115.20	unknown	via CMAUP database
> Organic nitrogen compounds / Organonitrogen compounds / Quaternary ammonium salts / Cholines
Choline	305	Click to see C[N+](C)(C)CCO	104.17	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glucosinolates / Alkylglucosinolates
(2S)-2-Hydroxy-3-butenyl-glucosinolate	12309644	Click to see C=CC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O	389.40	unknown	https://doi.org/10.1111/J.1365-2621.1990.TB05233.X
[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate	154496671	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	448.50	unknown	https://doi.org/10.1021/JF00074A024
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z,3S)-3-hydroxy-N-sulfooxyhex-5-enimidothioate	92024315	Click to see C=CCC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O	403.40	unknown	https://doi.org/10.1111/J.1365-2621.1990.TB05233.X
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-10-methylsulfonyl-N-sulfooxydecanimidothioate	101705406	Click to see CS(=O)(=O)CCCCCCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	523.60	unknown	https://doi.org/10.1016/S0031-9422(96)00765-0
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate	6602400	Click to see C1=CC(=CC=C1CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O)O	425.40	unknown	https://doi.org/10.1016/S0031-9422(96)00765-0
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-3-(2,3,4,5,6-pentadeuteriophenyl)-N-sulfooxypropanimidothioate	11611665	Click to see C1=CC=C(C=C1)CCC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O	428.50	unknown	via CMAUP database
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-9-methylsulfonyl-N-sulfooxynonanimidothioate	101705407	Click to see CS(=O)(=O)CCCCCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	509.60	unknown	https://doi.org/10.1016/S0031-9422(96)00765-0
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate	656568	Click to see C1=CC(=CC=C1CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O)O	425.40	unknown	via CMAUP database
[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate	158705152	Click to see COC1=CC=CC2=C1C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	478.50	unknown	https://doi.org/10.1021/JF00074A024
[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E,3R)-3-hydroxy-N-sulfooxypent-4-enimidothioate	9576240	Click to see C=CC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O	389.40	unknown	via CMAUP database
[(E)-[2-(4-hydroxyphenyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate	9601114	Click to see C1=CC(=CC=C1CC(=NOS(=O)(=O)[O-])SC2C(C(C(C(O2)CO)O)O)O)O	424.40	unknown	via CMAUP database
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxyhex-5-enimidothioate	14390051	Click to see C=CCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	387.40	unknown	https://doi.org/10.1111/J.1365-2621.1990.TB05233.X
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-methylsulfonyl-N-sulfooxydecanimidothioate	162972834	Click to see CS(=O)(=O)CCCCCCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	523.60	unknown	https://doi.org/10.1016/S0031-9422(96)00765-0
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-hydroxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate	4479916	Click to see C1=CC2=C(C(=C1)O)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	464.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2039843/
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate	415565	Click to see C1=CC(=CC=C1CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O)O	425.40	unknown	https://doi.org/10.1016/S0031-9422(96)00765-0
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-N-sulfooxyhex-5-enimidothioate	4479907	Click to see C=CCC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O	403.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3790247/
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 9-methylsulfonyl-N-sulfooxynonanimidothioate	145994455	Click to see CS(=O)(=O)CCCCCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	509.60	unknown	https://doi.org/10.1016/S0031-9422(96)00765-0
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-sulfooxybut-3-enimidothioate	417411	Click to see C=CCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	359.40	unknown	https://doi.org/10.1016/J.FOODCHEM.2013.08.010 https://doi.org/10.1016/S0031-9422(96)00765-0
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-sulfooxyhex-5-enimidothioate	4479691	Click to see C=CCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	387.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6269701/
4-Methoxyglucobrassicin	9576738	Click to see COC1=CC=CC2=C1C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	478.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2039843/
4-Ohimg	9576741	Click to see C1=CC2=C(C(=C1)O)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	464.50	unknown	https://doi.org/10.1021/JF00074A024
4-Pentenylglucosinolate	9548628	Click to see C=CCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	387.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6269701/
Allyl glucosinolate	23684362	Click to see C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]	397.50	unknown	via CMAUP database
But-3-enylglucosinolate	14390048	Click to see C=CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	373.40	unknown	https://doi.org/10.1021/JF00074A024 https://doi.org/10.1111/J.1365-2621.1990.TB05233.X
Gluconapin	9548620	Click to see C=CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	373.40	unknown	https://doi.org/10.1111/J.1365-2621.1990.TB05233.X https://doi.org/10.1021/JF00074A024
Glucoside of allyl isothiocyanate	23712637	Click to see C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]	397.50	unknown	via CMAUP database
Glucosinalbin	9601115	Click to see C1=CC(=CC=C1CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O)O	425.40	unknown	via CMAUP database
p-Hydroxybenzyl glucosinolate	9573049	Click to see C1=CC(=CC=C1CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O)O	425.40	unknown	https://doi.org/10.1111/J.1365-2621.1990.TB05233.X https://doi.org/10.1016/S0031-9422(96)00765-0
Potassium 1-(beta-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate	23682211	Click to see C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]	397.50	unknown	via CMAUP database
potassium;[(E)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbut-3-enylideneamino] sulfate	23671158	Click to see C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]	397.50	unknown	via CMAUP database
Progoitrin	4480096	Click to see C=CC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O	389.40	unknown	https://doi.org/10.1021/JF0525277
Sinigrin	6911854	Click to see C=CCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	359.40	unknown	https://doi.org/10.1016/S0031-9422(96)00765-0 https://doi.org/10.1021/JF0200523 https://doi.org/10.1021/JF00074A024 https://doi.org/10.1111/J.1365-2621.1990.TB05233.X
Sinigrin potassium	44135691	Click to see C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]	397.50	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar alcohols
Sorbitol	5780	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 / Carbonyl compounds / Aldehydes / Aryl-aldehydes
Furfural	7362	Click to see C1=COC(=C1)C=O	96.08	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
Hexanal	6184	Click to see CCCCCC=O	100.16	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
2-Hexanone	11583	Click to see CCCCC(=O)C	100.16	unknown	https://doi.org/10.1271/BBB1961.50.205
> Organoheterocyclic compounds / Benzofurans / Benzofuranones
Butylphthalide	61361	Click to see CCCCC1C2=CC=CC=C2C(=O)O1	190.24	unknown	via CMAUP database
> Organoheterocyclic compounds / Bi- and oligothiophenes
5-(3-Buten-1-ynyl)-2,2'-bithiophene	70813	Click to see C=CC#CC1=CC=C(S1)C2=CC=CS2	216.30	unknown	via CMAUP database
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
D-ascorbic acid	54690394	Click to see C(C(C1C(=C(C(=O)O1)O)O)O)O	176.12	unknown	via CMAUP database
> Organoheterocyclic compounds / Heteroaromatic compounds
Furfuryl alcohol	7361	Click to see C1=COC(=C1)CO	98.10	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indoles
2H-[1,2]thiazolo[5,4-b]indole	189690	Click to see C1=CC=C2C(=C1)C3=CNSC3=N2	174.22	unknown	via CMAUP database
3-Cyanoindole	230282	Click to see C1=CC=C2C(=C1)C(=CN2)C#N	142.16	unknown	https://doi.org/10.1016/S0031-9422(97)00362-2
Brassilexin	135413564	Click to see C1=CC=C2C(=C1)C3=C(N2)SN=C3	174.22	unknown	https://doi.org/10.1016/S0040-4039(00)82369-2 https://doi.org/10.1039/B103442C
> Organoheterocyclic compounds / Indoles and derivatives / Indoles / 3-alkylindoles
2-[(S)-methylsulfinyl]-4,9-dihydro-[1,3]thiazino[6,5-b]indole	163191372	Click to see CS(=O)C1=NCC2=C(S1)NC3=CC=CC=C23	250.30	unknown	https://doi.org/10.1016/0031-9422(90)85408-8
3-Indoleacetonitrile	351795	Click to see C1=CC=C2C(=C1)C(=CN2)CC#N	156.18	unknown	https://doi.org/10.1021/NP50055A020
Brassinin	3035211	Click to see CSC(=S)NCC1=CNC2=CC=CC=C21	236.40	unknown	https://doi.org/10.1039/B103442C
Cyclobrassinin	184579	Click to see CSC1=NCC2=C(S1)NC3=CC=CC=C23	234.30	unknown	https://doi.org/10.1016/S0021-9673(01)84611-2 https://doi.org/10.1039/B103442C
Cyclobrassinin sulfoxide	14585498	Click to see CS(=O)C1=NCC2=C(S1)NC3=CC=CC=C23	250.30	unknown	https://doi.org/10.1016/0031-9422(90)85408-8
Methoxybrassinin	3037463	Click to see CON1C=C(C2=CC=CC=C21)CNC(=S)SC	266.40	unknown	https://doi.org/10.1016/S0021-9673(01)84611-2
> Organoheterocyclic compounds / Indoles and derivatives / Indolines
Spirobrassinin	188830	Click to see CSC1=NCC2(S1)C3=CC=CC=C3NC2=O	250.30	unknown	https://doi.org/10.1039/B103442C
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives
(2S)-2-azaniumyl-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
> Organoheterocyclic compounds / Oxepanes
Louisfieserone	101324818	Click to see CC1(C2COC3(C2(C4=C(C1(C3=O)C)OC(CC4=O)C5=CC=CC=C5)O)C)C	368.40	unknown	via CMAUP database
> Organoheterocyclic compounds / Thiiranes
3-[(2S)-thiiran-2-yl]propanenitrile	162985511	Click to see C1C(S1)CCC#N	113.18	unknown	https://doi.org/10.1080/00021369.1982.10865563
4-[(2S)-thiiran-2-yl]butanenitrile	163000310	Click to see C1C(S1)CCCC#N	127.21	unknown	https://doi.org/10.1080/00021369.1982.10865563
Thiiranebutanenitrile	148822	Click to see C1C(S1)CCCC#N	127.21	unknown	https://doi.org/10.1080/00021369.1982.10865563
Thiiranepropanenitrile	100582	Click to see C1C(S1)CCC#N	113.18	unknown	https://doi.org/10.1080/00021369.1982.10865563
> Organoheterocyclic compounds / Thiiranes / Epithionitriles
2-[(2S)-thiiran-2-yl]acetonitrile	162870482	Click to see C1C(S1)CC#N	99.16	unknown	https://doi.org/10.1080/00021369.1982.10865563
Thiiraneacetonitrile	148821	Click to see C1C(S1)CC#N	99.16	unknown	https://doi.org/10.1080/00021369.1982.10865563
> Organosulfur compounds / Allyl sulfur compounds
Allyl thiocyanate	69816	Click to see C=CCSC#N	99.16	unknown	https://doi.org/10.1271/BBB1961.50.205
> Organosulfur compounds / Isothiocyanates
(2R)-2-isothiocyanatobutane	5399110	Click to see CCC(C)N=C=S	115.20	unknown	via CMAUP database
1-Isothiocyanato-3-methylbutane	79086	Click to see CC(C)CCN=C=S	129.23	unknown	via CMAUP database
3-(Methylthio)propyl isothiocyanate	62351	Click to see CSCCCN=C=S	147.30	unknown	via CMAUP database
3-Butenyl isothiocyanate	76922	Click to see C=CCCN=C=S	113.18	unknown	via CMAUP database
4-Pentenyl isothiocyanate	87436	Click to see C=CCCCN=C=S	127.21	unknown	via CMAUP database
Allyl isothiocyanate	5971	Click to see C=CCN=C=S	99.16	unknown	https://doi.org/10.1271/BBB1961.50.205 https://doi.org/10.1021/JF0200523
Butenyl isothiocyanate	6439701	Click to see CCC=CN=C=S	113.18	unknown	via CMAUP database
Butyl isothiocyanate	11613	Click to see CCCCN=C=S	115.20	unknown	via CMAUP database
Isobutyl isothiocyanate	68960	Click to see CC(C)CN=C=S	115.20	unknown	via CMAUP database
Isopropyl isothiocyanate	75263	Click to see CC(C)N=C=S	101.17	unknown	via CMAUP database
Isothiocyanatocyclopropane	92463	Click to see C1CC1N=C=S	99.16	unknown	via CMAUP database
Methyl isothiocyanate	11167	Click to see CN=C=S	73.12	unknown	via CMAUP database
sec-Butyl isothiocyanate	78151	Click to see CCC(C)N=C=S	115.20	unknown	https://doi.org/10.1271/BBB1961.50.205 https://doi.org/10.1016/0031-9422(88)83085-1
> Organosulfur compounds / Organic disulfides
1-Methylsulfanyl-1-(prop-1-enyldisulfanyl)propane	5319790	Click to see CCC(SC)SSC=CC	194.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
Methyl 4-hydroxy-3,5-dimethoxycinnamate; Sinapic acid methyl ester	159894	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC	238.24	unknown	https://doi.org/10.1016/0304-4165(74)90253-0
Methyl sinapate	5321318	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC	238.24	unknown	https://doi.org/10.1016/0304-4165(74)90253-0
Sinapine	5280385	Click to see C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC	310.36	unknown	https://doi.org/10.1021/JF9705577
> 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
Sinapic acid	10743	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O	224.21	unknown	https://doi.org/10.1021/JF020496Z
Sinapinic acid	637775	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O	224.21	unknown	https://doi.org/10.1021/JF020496Z
> Phenylpropanoids and polyketides / Flavonoids / Flavans / 8-prenylated flavans / 8-prenylated flavanones
(2S)-5,7,2',4'-Tetrahydroxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone	10251761	Click to see CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC(=C(C=C3O)O)C(C)(C)C=C)C	424.50	unknown	via CMAUP database
(2S)-5,7,4'-Trihydroxy-2'-methoxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone	10478289	Click to see CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC(=C(C=C3OC)O)C(C)(C)C=C)C	438.50	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
(-)-Catechin	73160	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	290.27	unknown	via CMAUP database
2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol	1203	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	290.27	unknown	via CMAUP database
Cianidanol	9064	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	290.27	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / 8-prenylated flavones
2-[2,4-Dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one	10002345	Click to see CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C=C(O2)C3=CC(=C(C=C3O)O)C(C)(C)C=C)C	422.50	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 / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one	5323537	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)OC5C(C(C(C(O5)CO)O)O)O)O	640.50	unknown	https://doi.org/10.1021/JF0202133
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one	6239259	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)OC5C(C(C(C(O5)CO)O)O)O)O	640.50	unknown	https://doi.org/10.1021/JF0202133
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 5-O-methylated flavonoids
(2r)-7-Hydroxy-5-methoxy-2-phenylchroman-4-one	821279	Click to see COC1=CC(=CC2=C1C(=O)CC(O2)C3=CC=CC=C3)O	270.28	unknown	via CMAUP database
Alpinetin	154279	Click to see COC1=CC(=CC2=C1C(=O)CC(O2)C3=CC=CC=C3)O	270.28	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / 2-Hydroxychalcones
2',4'-Dihydroxy-6'-methoxy-5'-methylchalkon	85126781	Click to see CC1=C(C(=C(C=C1O)O)C(=O)C=CC2=CC=CC=C2)OC	284.31	unknown	via CMAUP database
> 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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Brassica juncea

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