Aloe vera is a succulent plant species that is widely distributed and considered an invasive species in many regions. It is an evergreen perennial that originates from the Arabian Peninsula but can now be found in tropical, semi-tropical, and arid climates around the world. Aloe vera is cultivated for commercial products, mainly as a topical treatment that has been used for centuries. The plant is also popular for decorative purposes and can be grown indoors as a potted plant. The leaves of Aloe vera contain a gel that is rich in a polysaccharide called acemannan, which has various medical uses. However, the skin of the plant contains a toxic substance called aloin, so products made from Aloe vera typically only use the gel. Aloe vera is used in a variety of commercial products, including skin lotions, cosmetics, ointments, and gels for minor burns and skin abrasions. While topical use of Aloe vera is generally safe, oral ingestion can be dangerous and may cause reactions that are not fully understood. It is especially important for pregnant women to avoid ingesting Aloe vera, as well as those who may have allergies to the plant. The plant has a long history of use in traditional medicine and is also commonly used in

Synonyms Top

Scientific name	Authority	First published in
Aloe barbadensis	Mill.	Gard. Dict. ed. 8 : n.º 2 (1768)
Aloe barbadensis var. chinensis	Haw.	Suppl. Pl. Succ. 45. 1819
Aloe chinensis	Steud.	Nomencl. Bot. [Steudel], ed. 2. 1: 56; Baker, in Bot. Mag. t. 6301. 1840
Aloe elongata	Murray	Commentat. Soc. Regiae Sci. Gott. 9: 191 (1789)
Aloe flava	Pers.	Syn. Pl. 1: 378 (1805)
Aloe indica	Royle	Ill. Bot. Himal. Mts. : 390 (1839)
Aloe lanzae	Tod.	Hort. Bot. Panorm. 2: 39 (1889)
Aloe perfoliata var. barbadensis	(Mill.) Aiton	Hort. Kew. 1: 466 (1789)
Aloe perfoliata var. vera	L.	Sp. Pl. 1: 320. 1753 [1 Mai 1753
Aloe rubescens	DC.	Pl. Hist. Succ. : 15 (1799)
Aloe vera var. chinensis	(Steud. ex Baker) Baker	J. Linn. Soc., Bot. 18: 230 1880
Aloe vera var. lanzae	Baker	J. Linn. Soc., Bot. 18: 230. 1880
Aloe vera var. littoralis	J.Koenig ex Baker	J. Linn. Soc., Bot. 18: 176 (1880)
Aloe vulgaris	Lam.	Encycl. 1: 86 (1783)

Common names Top

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Filter by language:

Language	Common/alternative name
English	barbados aloe
Spanish	savila
Spanish	sávila
Amharic	ሬት
Arabic	ألوة فيرا
Arabic	الألوة فيرا
Arabic	صبر حقيقي
Arabic	المقر
Arabic	الصبر
Arabic	صباره
Assamese	এল' ভেৰা
Assamese	এলো ভেৰা
Assamese	এলোভেৰা
Assamese	চাল কুঁৱৰী
Assamese	চাল-কুঁৱৰী
Azerbaijani	Əsl əzvay
azb	آلوئهورا
ban	lidah buaya
Bulgarian	алое вера
bho	ढेंकुआरि
Bengali	ঘৃতকুমারী
Catalan	Àloe
Catalan	Àloe de barbados
Catalan	Àloe de curaçao
Catalan	atzavara vera
Catalan	àloe vera
Danish	læge-aloe
German	curacao-aloe
German	wüstenlilie
German	echte aloe
Greek	Αλόη βέρα
Greek	Αλόη η γνησία
Esperanto	vera aloo
Esperanto	aloo vera
Estonian	harilik aaloe
Persian	آلو ورا
Persian	آلوئه ورا
Persian	آلوئهٔ ورا
Persian	آلوئهورا
Persian	آلوورا
Persian	الو ورا
Persian	الوئه ورا
Persian	الوئهٔ ورا
Persian	الوئهورا
Persian	الوورا
Persian	شب یار
Persian	شبیار
Persian	صبر زرد
Finnish	aloë vera
Finnish	rohtoaaloe
Finnish	lääkeaaloe
French	aloé vera
French	aloès vera
frr	echt aloe
Irish	an t-aló íceach
Galician	Áloe vera
Gujarati	કુંવારપાઠું
Hausa	alobera (aloe vera)
Hebrew	אלוי אמיתי
Hebrew	אלוורה
Hindi	अलो वेरा
Hindi	एलोवेरा
Hindi	ग्वारपाठा
Hindi	घृतकुमारी
Hindi	घृत कुमारी
Upper Sorbian	prawy alowej
ht	pye lalwa
Hungarian	barbadosi aloé
Hungarian	orvosi aloé
Armenian	Հալվե իսկական
Indonesian	lidah buaya
Japanese	アロエ・ベラ
Japanese	アロエベラ
Japanese	アロエ・ヴェラ
jv	ilat baya
Kazakh	Алоэ вера
Kannada	ಲೋಳೆ ಸರ
Korean	알로에 베라
lbe	Алоэ
Ganda	ekigaji ddagala
Latvian	Īstā alveja
Latvian	alveja
mai	घृत कुमारी
min	lidah buayo
Macedonian	Алое вера
Macedonian	алое вера
Macedonian	вистинска алоја
Malayalam	കറ്റാർ വാഴ
Malayalam	കറ്റാർവാഴ
Malayalam	കറ്റുവാഴ
Malayalam	കുമാരി
Malay	lidah buaya
Malay	pokok lidah buaya
Burmese	ရှားစောင်းလက်ပတ်ပင်
nah	caxtillān mexcalmetl
Norwegian Bokmål	aloë vera
Nepali	घिउ कुमारी
Dutch	aloë barbadensis
Dutch	aloë vera
oc	Àloe vera
Oriya	ଘିକୁଆଁରୀ
Punjabi	ਕੁਆਰ ਗੰਦਲ
pcm	ewe erin
pcm	alovera
Punjab	کوار گندࢦ
Portuguese	acemannan
Portuguese	aloé
Portuguese	babosa
Russian	Алоэ вера
Russian	алоэ настоящее
Russian	алоэ вера
sa	अश्वत्थः
sa	घृतकुमारी
sd	ڪنوار ٻوٽي
Samogitian	alėjuošios
Serbo-Croatian	aloje vera
Serbo-Croatian	prava aloja
Serbo-Croatian	obična aloja
Sinhala	කෝමාරිකා
Slovak	aloa pravá
Serbian	a. barbadensis mill.
Serbian	a. vulgaris lam.
Serbian	aloë barbadensis miller
Serbian	Алое вера
Serbian	Алоје вера
Serbian	Права алоја
Serbian	обична алоја
su	lidah buaya
Swedish	aloë vera
Swedish	såraloe
Swedish	äkta aloe
Telugu	కలబంద
Thai	ว่านหางจระเข้
Tonga	ʻaloe
Turkish	tıbbi sarısabır
Ukrainian	Алое барбадоське
Ukrainian	Алое вера
Ukrainian	Алое справжнє
Urdu	کوار گندل
Vietnamese	nha đam
Vietnamese	lô hội
Chinese	芦荟
Chinese	库拉索芦荟
Chinese	吉拉索蘆薈
Chinese	芦考广（斑纹芦荟）
Chinese	芦荟叶
Chinese	芦荟根
Chinese	芦荟花
Chinese	巴巴多斯芦荟
Chinese	洋蘆薈
Chinese	美國蘆薈
Chinese	翠葉蘆薈
Chinese	藥用蘆薈
Chinese	庫拉索蘆薈

Subspecies (abbr. subsp./ssp.) Top

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Name	Authority	First published in
Aloe maculata subsp. ficksburgensis	(Reynolds) Gideon F.Sm. & Figueiredo	Bradleya 30: 15 (2012)

Varieties (abbr. var.) Top

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No variety added yet.

Subvarieties (abbr. subvar.) Top

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No subvariety added yet.

Forms (abbr. f.) Top

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No forms added yet.

Germination/Propagation Top

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No germination or propagation data was added yet.

Distribution (via POWO/KEW) Top

Legend for the distribution data:

- Doubtful data

- Extinct

- Introduced

- Native

Africa click to expand
- Macaronesia
  - Canary Islands
  - Cape Verde
  - Madeira
- Middle Atlantic Ocean
  - Ascension
  - Saint Helena
- Northeast Tropical Africa
  - Ethiopia
- Northern Africa
  - Algeria
  - Libya
  - Morocco
  - Tunisia
- Western Indian Ocean
  - Mauritius
  - Réunion

Asia-temperate click to expand
- Arabian Peninsula
  - Gulf States
  - Oman
  - Saudi Arabia
  - Yemen
- China
  - China South-central
- Western Asia
  - Cyprus
  - East Aegean Islands
  - Lebanon-Syria
  - Palestine
  - Turkey

Asia-tropical click to expand
- Indian Subcontinent
  - Assam
  - Bangladesh
  - India
  - Nepal
  - Pakistan
  - Sri Lanka
- Indo-China
  - Cambodia
  - Thailand

Australasia click to expand
- Australia
  - Queensland

Europe click to expand
- Southeastern Europe
  - Greece
  - Italy
  - Kriti
  - Sicilia
- Southwestern Europe
  - Baleares
  - Portugal
  - Spain

Northern America click to expand
- Mexico
  - Mexico Central
  - Mexico Gulf
  - Mexico Northeast
  - Mexico Northwest
  - Mexico Southeast
  - Mexico Southwest
- South-central U.S.A.
  - Texas
- Southeastern U.S.A.
  - Florida
- Southwestern U.S.A.
  - Arizona

Pacific click to expand
- North-central Pacific
  - Hawaii
- South-central Pacific
  - Cook Islands

Southern America click to expand
- Caribbean
  - Aruba
  - Bahamas
  - Bermuda
  - Cayman Islands
  - Cuba
  - Dominican Republic
  - Haiti
  - Jamaica
  - Leeward Islands
  - Netherlands Antilles
  - Puerto Rico
  - Trinidad-Tobago
  - Turks-caicos Islands
  - Venezuelan Antilles
  - Windward Islands
- Central America
  - Costa Rica
  - El Salvador
  - Guatemala
  - Honduras
  - Nicaragua
- Northern South America
  - Venezuela
- Southern South America
  - Juan Fernández Islands
- Western South America
  - Bolivia
  - Ecuador
  - Galápagos
  - Peru

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000758976
UNII	KIZ4X2EHYX
Florida Plant Atlas	1491
USDA Plants	ALVE2
Tropicos	18403421
INPN	639239
Flora of Italy	8393
KEW	urn:lsid:ipni.org:names:530017-1
The Plant List	kew-298116
Missouri Botanical Garden	282195
Open Tree Of Life	62303
Observations.org	149615
NCBI Taxonomy	34199
Nature Serve	2.147299
IPNI	530017-1
iNaturalist	126882
GBIF	2777724
Freebase	/m/059h5_
EPPO	ALFVE
EOL	1085598
Elurikkus	209750
US Library of Congress	sh85003789
USDA GRIN	311403
Wikipedia	Aloe_vera
CMAUP	NPO11578
CMAUP	NPO12552
CMAUP	NPO26975
PFAF	Aloe vera

Genomes (via NCBI) Top

No reference genome is available on NCBI yet. We are constantly monitoring for new data.

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

Edible Herbal Medicines as an Alternative to Common Medication for Sleep Disorders: A Review Article

Hosseini A, Mobasheri L, Rakhshandeh H, Rahimi VB, Najafi Z, Askari VR

Curr Neuropharmacol

22-Jun-2024

PMCID:	PMC10964091
doi:	10.2174/1570159X21666230621143944
PMID:	37345244

From nature to nanomedicine: bioengineered metallic nanoparticles bridge the gap for medical applications

Patel J, Kumar GS, Roy H, Maddiboyina B, Leporatti S, Bohara RA

Discov Nano

09-May-2024

PMCID:	PMC11082127
doi:	10.1186/s11671-024-04021-9
PMID:	38724833

Antimicrobial Properties of Aloe vera Ethanol Extract as a Denture Disinfectant: An In Vitro Study

Salim RH, Salloum AM, Alsalameh SA, Khazem MR, Hajeer MY

Cureus

08-May-2024

PMCID:	PMC11079847
doi:	10.7759/cureus.59916
PMID:	38726356

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

RETRACTION: Effect of adding Aloe vera jell on the quality and sensory properties of yogurt

N/A

Food Sci Nutr

02-May-2024

PMCID:	PMC11077232
doi:	10.1002/fsn3.4171
PMID:	38726392

GC–MS based antioxidants characterization in Saussurea heteromalla (D. Don) Hand-Mazz by inhibition of nitric oxide generation in macrophages

Saboon, Iqbal A, Bibi Y, Afzal T, Sher A, Qayyum A, Akmal M, Almoallim HS, Ansari MJ, Zeng Y

Sci Rep

02-May-2024

PMCID:	PMC11065987
doi:	10.1038/s41598-024-60577-7
PMID:	38698070

Thymol, a Monoterpenoid within Polymeric Iodophor Formulations and Their Antimicrobial Activities

Edis Z, Bloukh SH

Int J Mol Sci

01-May-2024

PMCID:	PMC11084924
doi:	10.3390/ijms25094949
PMID:	38732168

The Effects of Aloe Vera Cream on the Alar Scar in Rhinoplasty, A Randomized Double-Blind Controlled Trial

Kaboodkhani R, Sarikhani M, Kazemi T, Zarshenas MM, Shahrizi MM, Sadati MS, Owji SH

Iran J Otorhinolaryngol

01-May-2024

PMCID:	PMC11090095
doi:	10.22038/IJORL.2024.77572.3601
PMID:	38745686

Unleashing the promise of emerging nanomaterials as a sustainable platform to mitigate antimicrobial resistance

Rahman S, Sadaf S, Hoque ME, Mishra A, Mubarak NM, Malafaia G, Singh J

RSC Adv

01-May-2024

PMCID:	PMC11062400
doi:	10.1039/d3ra05816f
PMID:	38694553

Artemisia annua L. polysaccharide improves the growth performance and intestinal barrier function of broilers challenged with Escherichia coli

Guo S, Shi B, Xing Y, Xu Y, Jin X, Hong L, Zhang S, Qiao M, Yan S

Front Microbiol

30-Apr-2024

PMCID:	PMC11091311
doi:	10.3389/fmicb.2024.1390815
PMID:	38746748

Qualitative and quantitative analysis methods for quality control of rhubarb in Taiwan’s markets

Au TT, Ho YL, Chang YS

Front Pharmacol

30-Apr-2024

PMCID:	PMC11091417
doi:	10.3389/fphar.2024.1364460
PMID:	38746013

Natural products for managing metabolic syndrome: a scoping review

Abdulghani MF, Al-Fayyadh S

Front Pharmacol

30-Apr-2024

PMCID:	PMC11091304
doi:	10.3389/fphar.2024.1366946
PMID:	38746011

Sorption Behavior of Azo Dye Congo Red onto Activated Biochar from Haematoxylum campechianum Waste: Gradient Boosting Machine Learning-Assisted Bayesian Optimization for Improved Adsorption Process

Gamboa DM, Abatal M, Lima E, Franseschi FA, Ucán CA, Tariq R, Elías MA, Vargas J

Int J Mol Sci

27-Apr-2024

PMCID:	PMC11083778
doi:	10.3390/ijms25094771
PMID:	38731990

Electrospun nanofibers synthesized from polymers incorporated with bioactive compounds for wound healing

Palani N, Vijayakumar P, Monisha P, Ayyadurai S, Rajadesingu S

J Nanobiotechnology

27-Apr-2024

PMCID:	PMC11056076
doi:	10.1186/s12951-024-02491-8
PMID:	38678271

Outcome assessment methods of bioactive and biodegradable materials as pulpotomy agents in primary and permanent teeth: a scoping review

Elhamouly Y, Adham MM, Dowidar KM, El Backly RM

BMC Oral Health

27-Apr-2024

PMCID:	PMC11055312
doi:	10.1186/s12903-024-04221-w
PMID:	38678210

Phytochemical Profile Top

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Below are displayed the proven (via scientific papers) natural compounds!
You can also contribute to this by clicking here.

Name	PubChem ID	Canonical SMILES	MW	Found in	Proof
> Benzenoids / Anthracenes
(10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one	129628856	Click to see C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO	418.40	unknown	https://doi.org/10.1021/JF010179C https://doi.org/10.1055/S-2001-18348
(10R)-1,8-Dihydroxy-3-(hydroxymethyl)-10-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one	12305763	Click to see C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO	418.40	unknown	via CMAUP database
(10R)-2,8-dihydroxy-6-(hydroxymethyl)-1-methoxy-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one	101713463	Click to see COC1=C(C=CC2=C1C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO)O	448.40	unknown	https://doi.org/10.1016/S0031-9422(97)00149-0
(10S)-1,8-dihydroxy-3-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one	5458894	Click to see C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO	418.40	unknown	https://doi.org/10.1021/JF010179C
(2S,4S)-2,8,9-trihydroxy-6-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-anthracen-1-one	102316963	Click to see CC1=CC2=CC3=C(C(=O)C(CC3OC4C(C(C(C(O4)CO)O)O)O)O)C(=C2C(=C1)O)O	436.40	unknown	https://doi.org/10.1016/S0031-9422(97)00745-0
(2S,4S)-8,9-dihydroxy-2-methoxy-6-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-anthracen-1-one	102316964	Click to see CC1=CC2=CC3=C(C(=O)C(CC3OC4C(C(C(C(O4)CO)O)O)O)OC)C(=C2C(=C1)O)O	450.40	unknown	https://doi.org/10.1016/S0031-9422(97)00745-0
(3R)-3,9-dihydroxy-8-methoxy-3-methyl-2,4-dihydroanthracen-1-one	101712954	Click to see CC1(CC2=C(C(=O)C1)C(=C3C(=C2)C=CC=C3OC)O)O	272.29	unknown	https://doi.org/10.1016/S0031-9422(97)00107-6
(3S)-3,5,7-Trihydroxy-9-methyl-3,4-dihydroanthracen-1(2H)-one	71347130	Click to see CC1=C2C(=CC3=C1C=C(C=C3O)O)CC(CC2=O)O	258.27	unknown	https://doi.org/10.1016/S0031-9422(97)00107-6
(3S)-3,9-dihydroxy-8-methoxy-3-methyl-2,4-dihydroanthracen-1-one	163010273	Click to see CC1(CC2=C(C(=O)C1)C(=C3C(=C2)C=CC=C3OC)O)O	272.29	unknown	https://doi.org/10.1016/S0031-9422(97)00107-6
[(2R,3S,4R,5R,6S)-6-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate	101629131	Click to see C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)C=C(C=C3O)CO	564.50	unknown	via CMAUP database
1-Anthrol	123077	Click to see C1=CC=C2C=C3C(=CC2=C1)C=CC=C3O	194.23	unknown	https://doi.org/10.1002/JPS.3030450410
1,8-dihydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-10H-anthracen-9-one	313324	Click to see CC1C(C(C(C(O1)OCC2=CC3=C(C(=C2)O)C(=O)C4=C(C3C5C(C(C(C(O5)CO)O)O)O)C=CC=C4O)O)O)O	564.50	unknown	https://doi.org/10.1021/JF010179C
1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one	129628814	Click to see C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO	418.40	unknown	https://doi.org/10.1016/S0176-1617(11)81144-2 https://doi.org/10.1055/S-2006-957907
10-beta-D-Glucopyranosyl-1,8-dihydro-3-(hydroxymethyl)-9(10H)-anthracenone	5458893	Click to see C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO	418.40	unknown	via CMAUP database
10-Hydroxyaloin	14889735	Click to see C1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4C(C(C(C(O4)CO)O)O)O)O)C=C(C=C3O)CO	434.40	unknown	https://doi.org/10.1016/S0031-9422(97)00149-0
10-Hydroxyaloin A	14889736	Click to see C1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4C(C(C(C(O4)CO)O)O)O)O)C=C(C=C3O)CO	434.40	unknown	https://doi.org/10.1016/S0031-9422(97)00149-0
10-Hydroxyaloin B	14889737	Click to see C1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4C(C(C(C(O4)CO)O)O)O)O)C=C(C=C3O)CO	434.40	unknown	https://doi.org/10.1016/S0031-9422(97)00149-0
2,6,8-trihydroxy-1-methoxy-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one	11968593	Click to see COC1=C(C=CC2=C1C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)O)O	434.40	unknown	via CMAUP database
2,8,9-trihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-anthracen-1-one	162847759	Click to see CC1=CC2=CC3=C(C(=O)C(CC3OC4C(C(C(C(O4)CO)O)O)O)O)C(=C2C(=C1)O)O	436.40	unknown	https://doi.org/10.1016/S0031-9422(97)00745-0
3,4-Dihydro-3,9-dihydroxy-8-methoxy-3-methyl-1(2h)-anthracenone	129887708	Click to see CC1(CC2=C(C(=O)C1)C(=C3C(=C2)C=CC=C3OC)O)O	272.29	unknown	https://doi.org/10.1016/S0031-9422(97)00107-6
3,5,7-trihydroxy-9-methyl-3,4-dihydro-2H-anthracen-1-one	78061341	Click to see CC1=C2C(=CC3=C1C=C(C=C3O)O)CC(CC2=O)O	258.27	unknown	https://doi.org/10.1016/S0031-9422(97)00107-6
5-Hydroxyaloin A	11972367	Click to see C1=CC(=C2C(=C1O)C(C3=C(C2=O)C(=CC(=C3)CO)O)C4C(C(C(C(O4)CO)O)O)O)O	434.40	unknown	via CMAUP database
7-Hydroxy-8-O-methylaloin B	131751175	Click to see COC1=C(C=CC2=C1C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO)O	448.40	unknown	https://doi.org/10.1016/S0031-9422(97)00149-0 https://doi.org/10.1021/JF010179C
7-Hydroxyaloin	53462673	Click to see C1=CC(=C(C2=C1C(C3=C(C2=O)C(=CC(=C3)CO)O)C4C(C(C(C(O4)CO)O)O)O)O)O	434.40	unknown	via CMAUP database
7-Hydroxyaloin A	102052685	Click to see C1=CC(=C(C2=C1C(C3=C(C2=O)C(=CC(=C3)CO)O)C4C(C(C(C(O4)CO)O)O)O)O)O	434.40	unknown	https://doi.org/10.1016/S0176-1617(11)81144-2
8-O-Methyl-7-hydroxyaloin A	101713462	Click to see COC1=C(C=CC2=C1C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO)O	448.40	unknown	https://doi.org/10.1016/S0031-9422(97)00149-0
8,9-dihydroxy-2-methoxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-anthracen-1-one	162998327	Click to see CC1=CC2=CC3=C(C(=O)C(CC3OC4C(C(C(C(O4)CO)O)O)O)OC)C(=C2C(=C1)O)O	450.40	unknown	https://doi.org/10.1016/S0031-9422(97)00745-0
9(10H)-Anthracenone, 10-beta-D-glucopyranosyl-1,2,8-trihydroxy-6-(hydroxymethyl)-, (10R)-	158096	Click to see C1=CC(=C(C2=C1C(C3=C(C2=O)C(=CC(=C3)CO)O)C4C(C(C(C(O4)CO)O)O)O)O)O	434.40	unknown	via CMAUP database
Aloin	9866696	Click to see C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO	418.40	unknown	via CMAUP database
Aloin A	12305761	Click to see C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO	418.40	unknown	https://doi.org/10.1248/CPB.35.4642 https://doi.org/10.1016/0031-9422(96)00306-8 https://doi.org/10.1016/0021-9673(96)00342-1 https://doi.org/10.1300/J044V04N03_04 https://doi.org/10.1016/S0031-9422(97)00107-6 https://doi.org/10.1016/S0378-4347(00)00524-7
Aloin B	14989	Click to see C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO	418.40	unknown	https://doi.org/10.1016/0031-9422(96)00306-8 https://doi.org/10.2174/092986710790112620 https://doi.org/10.1016/0021-9673(96)00342-1 https://doi.org/10.1300/J044V04N03_04 https://doi.org/10.1021/JF010179C https://doi.org/10.1055/S-2006-957907 https://doi.org/10.1016/S0378-4347(00)00524-7
Aloinoside A	46173997	Click to see CC1C(C(C(C(O1)OCC2=CC3=C(C(=C2)O)C(=O)C4=C(C3C5C(C(C(C(O5)CO)O)O)O)C=CC=C4O)O)O)O	564.50	unknown	https://doi.org/10.1021/JF010179C
Aloinoside B	46173998	Click to see CC1C(C(C(C(O1)OCC2=CC3=C(C(=C2)O)C(=O)C4=C(C3C5C(C(C(C(O5)CO)O)O)O)C=CC=C4O)O)O)O	564.50	unknown	https://doi.org/10.1021/JF010179C
Anthranol	10731	Click to see C1=CC=C2C(=C1)C=C3C=CC=CC3=C2O	194.23	unknown	via CMAUP database
Barbaloin	313325	Click to see C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO	418.40	unknown	https://doi.org/10.1055/S-2001-18348 https://doi.org/10.2174/092986710790112620 https://doi.org/10.1055/S-2006-962735 https://doi.org/10.1021/JF010179C https://doi.org/10.1055/S-2006-957907
Microdontin B	101629132	Click to see C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)COCC=CC5=CC=C(C=C5)O)O)O)O)C=C(C=C3O)CO	550.60	unknown	via CMAUP database
> Benzenoids / Anthracenes / Anthracenecarboxylic acids and derivatives / Anthracenecarboxylic acids
Aloesaponol I	44631015	Click to see CC1=C(C(=CC2=CC3=C(C(=O)CC(C3)O)C(=C12)O)O)C(=O)OC	316.30	unknown	https://doi.org/10.1016/S0176-1617(11)81144-2
Rhein	10168	Click to see C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O	284.22	unknown	via CMAUP database
> Benzenoids / Anthracenes / Anthraquinones
1,8-Dihydroxy-3-methyl-4a,9a-dihydroanthracene-9,10-dione	24867638	Click to see CC1=CC2C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O	256.25	unknown	via CMAUP database
2-[(9R)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-yl]-1,8-dihydroxy-6-(hydroxymethyl)anthracene-9,10-dione	162907998	Click to see C1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4C(C(C(C(O4)CO)O)O)O)C5=C(C6=C(C=C5)C(=O)C7=C(C6=O)C(=CC(=C7)CO)O)O)C=C(C=C3O)CO	686.60	unknown	https://doi.org/10.1016/J.FITOTE.2009.07.006
2-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-yl]-1,8-dihydroxy-6-(hydroxymethyl)anthracene-9,10-dione	122190710	Click to see C1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4C(C(C(C(O4)CO)O)O)O)C5=C(C6=C(C=C5)C(=O)C7=C(C6=O)C(=CC(=C7)CO)O)O)C=C(C=C3O)CO	686.60	unknown	https://doi.org/10.1016/J.FITOTE.2009.07.006
2-[4,5-Dihydroxy-2-(hydroxymethyl)-10-oxo-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-yl]-1,8-dihydroxy-6-(hydroxymethyl)anthracene-9,10-dione	14731339	Click to see C1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4C(C(C(C(O4)CO)O)O)O)C5=C(C6=C(C=C5)C(=O)C7=C(C6=O)C(=CC(=C7)CO)O)O)C=C(C=C3O)CO	686.60	unknown	https://doi.org/10.1016/J.FITOTE.2009.07.006
Aloe emodin	10207	Click to see C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO	270.24	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC245413/ https://doi.org/10.2174/092986710790112620 https://doi.org/10.1055/S-2001-18348 https://doi.org/10.1016/S0022-5347(05)00005-4 https://doi.org/10.1016/J.FCT.2007.06.005 https://doi.org/10.1021/TX900318A https://doi.org/10.1562/0031-8655(2000)072<0407:IOPCMI>2.0.CO;2 https://doi.org/10.1080/07357900701788130 https://doi.org/10.1016/J.INTIMP.2004.07.012 https://doi.org/10.1021/JF010179C https://doi.org/10.1097/00008390-200512000-00002 https://doi.org/10.1016/S0031-9422(97)00107-6
Anthraquinone	6780	Click to see C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O	208.21	unknown	via CMAUP database
Chrysophanic acid	10208	Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O	254.24	unknown	via CMAUP database
Chrysophanol 8-(6-O-galloyl-beta-D-glucopyranoside)	5315852	Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3OC4C(C(C(C(O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O	568.50	unknown	via CMAUP database
Elgonica dimer A	21582596	Click to see C1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4C(C(C(C(O4)CO)O)O)O)C5=C(C6=C(C=C5)C(=O)C7=C(C6=O)C(=CC(=C7)CO)O)O)C=C(C=C3O)CO	686.60	unknown	https://doi.org/10.1055/S-2001-18348
Helminthosporin	97560	Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3C2=O)O)O	270.24	unknown	via CMAUP database
Madagascine	378693	Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OCC=C(C)C	338.40	unknown	via CMAUP database
> Benzenoids / Anthracenes / Anthraquinones / Hydroxyanthraquinones
Emodin	3220	Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O	270.24	unknown	https://doi.org/10.1016/S0031-9422(97)00107-6
Nataloe-emodin	12313148	Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC(=C3O)O	270.24	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives
(R)-1-phenylethanol	637516	Click to see CC(C1=CC=CC=C1)O	122.16	unknown	via CMAUP database
(r)-Mandelic acid	11914	Click to see C1=CC=C(C=C1)C(C(=O)O)O	152.15	unknown	via CMAUP database
(S)-1-Phenylethanol	443135	Click to see CC(C1=CC=CC=C1)O	122.16	unknown	via CMAUP database
(S)-Mandelic acid	439616	Click to see C1=CC=C(C=C1)C(C(=O)O)O	152.15	unknown	via CMAUP database
Benzaldehyde, oxime, (Z)-	5324470	Click to see C1=CC=C(C=C1)C=NO	121.14	unknown	via CMAUP database
Mandelic Acid	1292	Click to see C1=CC=C(C=C1)C(C(=O)O)O	152.15	unknown	via CMAUP database
Phenylethyl Alcohol	6054	Click to see C1=CC=C(C=C1)CCO	122.16	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
Bis(2-ethylhexyl) phthalate	8343	Click to see CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC	390.60	unknown	https://doi.org/10.1211/0022357001774246
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acids
4-Methylbenzoic acid	7470	Click to see CC1=CC=C(C=C1)C(=O)O	136.15	unknown	via CMAUP database
Benzoic Acid	243	Click to see C1=CC=C(C=C1)C(=O)O	122.12	unknown	via CMAUP database
Diethyl hexyl phthalic acid	22283791	Click to see CCCCCCC1=C(C(=CC(=C1C(=O)O)C(=O)O)CC)CC	306.40	unknown	https://doi.org/10.1211/0022357001774778
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
2,5-Dihydroxybenzoic acid	3469	Click to see C1=CC(=C(C=C1O)C(=O)O)O	154.12	unknown	via CMAUP database
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 / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
Syringic acid	10742	Click to see COC1=CC(=CC(=C1O)OC)C(=O)O	198.17	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 / Benzoic acids and derivatives / Salicylic acid and derivatives / Salicylic acids
2,3-Dihydroxybenzoic acid	19	Click to see C1=CC(=C(C(=C1)O)O)C(=O)O	154.12	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
3-Methylbenzaldehyde	12105	Click to see CC1=CC(=CC=C1)C=O	120.15	unknown	via CMAUP database
Benzaldehyde	240	Click to see C1=CC=C(C=C1)C=O	106.12	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzyl alcohols
Benzyl Alcohol	244	Click to see C1=CC=C(C=C1)CO	108.14	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Diphenylmethanes
6-[3-[(1R)-3-ethoxy-1-(4-hydroxyphenyl)but-3-enyl]-4,6-dihydroxy-2-methylphenyl]-4-methoxypyran-2-one	44407788	Click to see CCOC(=C)CC(C1=CC=C(C=C1)O)C2=C(C=C(C(=C2C)C3=CC(=CC(=O)O3)OC)O)O	438.50	unknown	https://doi.org/10.1016/J.BMCL.2005.10.096
> Benzenoids / Benzene and substituted derivatives / Nitrobenzenes
Methyl 2-(2-nitrophenyl)acetate	520464	Click to see COC(=O)CC1=CC=CC=C1[N+](=O)[O-]	195.17	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenyl methylcarbamates
5-Dimethylamino-4-tolyl methylcarbamate	26479	Click to see CC1=C(C=C(C=C1)OC(=O)NC)N(C)C	208.26	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylacetic acids / 2(hydroxyphenyl)acetic acids
2-Hydroxyphenylacetic acid	11970	Click to see C1=CC=C(C(=C1)CC(=O)O)O	152.15	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylpyruvic acid derivatives
Phenylpyruvic acid	997	Click to see C1=CC=C(C=C1)CC(=O)C(=O)O	164.16	unknown	via CMAUP database
> Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids
4-Ethylphenol	31242	Click to see CCC1=CC=C(C=C1)O	122.16	unknown	via CMAUP database
> Benzenoids / Phenols / 1-hydroxy-4-unsubstituted benzenoids
3-Hydroxymandelic acid	86957	Click to see C1=CC(=CC(=C1)O)C(C(=O)O)O	168.15	unknown	via CMAUP database
3-Hydroxymandelic acid, (-)-	13358352	Click to see C1=CC(=CC(=C1)O)C(C(=O)O)O	168.15	unknown	via CMAUP database
3-Hydroxymandelic acid, (+)-	13358353	Click to see C1=CC(=CC(=C1)O)C(C(=O)O)O	168.15	unknown	via CMAUP database
Hydron;phenoxide	20488062	Click to see [H+].C1=CC=C(C=C1)[O-]	94.11	unknown	via CMAUP database
> Benzenoids / Phenols / Benzenediols / Catechols
3,4-Dihydroxyphenylacetic acid	547	Click to see C1=CC(=C(C=C1CC(=O)O)O)O	168.15	unknown	via CMAUP database
Catechol	289	Click to see C1=CC=C(C(=C1)O)O	110.11	unknown	via CMAUP database
> Benzenoids / Phenols / Benzenediols / Resorcinols
2H-Pyran-2-one, 6-(2,4-dihydroxy-6-methylphenyl)-4-methoxy-	5242842	Click to see CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)O)O	248.23	unknown	via CMAUP database
> Benzenoids / Phenols / Methoxyphenols
Homovanillic Acid	1738	Click to see COC1=C(C=CC(=C1)CC(=O)O)O	182.17	unknown	via CMAUP database
Isoeugenol	853433	Click to see CC=CC1=CC(=C(C=C1)O)OC	164.20	unknown	via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Hexacosane	12407	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCC	366.70	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Unsaturated aliphatic hydrocarbons
1-Pentadecene	25913	Click to see CCCCCCCCCCCCCC=C	210.40	unknown	via CMAUP database
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactone lignans
Suchilactone	10915582	Click to see COC1=C(C=C(C=C1)CC2COC(=O)C2=CC3=CC4=C(C=C3)OCO4)OC	368.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
(2-Penta-1,3-diynoxyspiro[6-oxabicyclo[3.1.0]hex-2-ene-4,6'-oxane]-3'-yl) 3-methylbutanoate	5318915	Click to see CC#CC#COC1=CC2(CCC(CO2)OC(=O)CC(C)C)C3C1O3	330.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
Methyl oleate	5364509	Click to see CCCCCCCCC=CCCCCCCCC(=O)OC	296.50	unknown	https://doi.org/10.1055/S-2006-960012
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Branched fatty acids / Methyl-branched fatty acids
(R)-(+)-Methylsuccinic acid	77983	Click to see CC(CC(=O)O)C(=O)O	132.11	unknown	via CMAUP database
(S)-(-)-Methylsuccinic acid	6950476	Click to see CC(CC(=O)O)C(=O)O	132.11	unknown	via CMAUP database
2,3-Dimethylacrylic acid, (E)-	125468	Click to see CC=C(C)C(=O)O	100.12	unknown	via CMAUP database
Isovaleric acid	10430	Click to see CC(C)CC(=O)O	102.13	unknown	via CMAUP database
Methylsuccinic acid	10349	Click to see CC(CC(=O)O)C(=O)O	132.11	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Hydroxy fatty acids
(S)-2-Hydroxyvaleric acid	6950703	Click to see CCCC(C(=O)O)O	118.13	unknown	via CMAUP database
2-Hydroxypentanoic acid	98009	Click to see CCCC(C(=O)O)O	118.13	unknown	via CMAUP database
beta-Hydroxyisovaleric acid	69362	Click to see CC(C)(CC(=O)O)O	118.13	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
(Z)-Pentadecenoic acid	11241932	Click to see CCCCCCCCCCCCC=CC(=O)O	240.38	unknown	via CMAUP database
2-Dodecyl-3-Methylbutanedioic Acid	99891	Click to see CCCCCCCCCCCCC(C(C)C(=O)O)C(=O)O	300.40	unknown	via CMAUP database
9-Hexadecenoic acid	5282745	Click to see CCCCCCC=CCCCCCCCC(=O)O	254.41	unknown	via CMAUP database
Arachidic Acid	10467	Click to see CCCCCCCCCCCCCCCCCCCC(=O)O	312.50	unknown	via CMAUP database
Arachidonic Acid	444899	Click to see CCCCCC=CCC=CCC=CCC=CCCCC(=O)O	304.50	unknown	https://doi.org/10.1055/S-2006-960012
Elaidic Acid	637517	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	via CMAUP database
Heneicosanoic acid	16898	Click to see CCCCCCCCCCCCCCCCCCCCC(=O)O	326.60	unknown	via CMAUP database
Heptadecanoic acid	10465	Click to see CCCCCCCCCCCCCCCCC(=O)O	270.50	unknown	via CMAUP database
Myristic Acid	11005	Click to see CCCCCCCCCCCCCC(=O)O	228.37	unknown	via CMAUP database
Nonadec-2-enoic acid	53925385	Click to see CCCCCCCCCCCCCCCCC=CC(=O)O	296.50	unknown	via CMAUP database
Oleic Acid	445639	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	https://doi.org/10.1055/S-2006-960012
Oleic acid-d2	13011408	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	284.50	unknown	via CMAUP database
Palmitic Acid	985	Click to see CCCCCCCCCCCCCCCC(=O)O	256.42	unknown	via CMAUP database
Palmitoleic Acid	445638	Click to see CCCCCCC=CCCCCCCCC(=O)O	254.41	unknown	via CMAUP database
Pentadecaenoic acid	53887649	Click to see CCCCCCCCCCCCC=CC(=O)O	240.38	unknown	via CMAUP database
Pentadecanoic Acid	13849	Click to see CCCCCCCCCCCCCCC(=O)O	242.40	unknown	via CMAUP database
Stearic Acid	5281	Click to see CCCCCCCCCCCCCCCCCC(=O)O	284.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
(114C)hexanoic acid	10419159	Click to see CCCCCC(=O)O	118.15	unknown	via CMAUP database
(2R)-2-hydroxyhexanedioic acid	9855559	Click to see C(CC(C(=O)O)O)CC(=O)O	162.14	unknown	via CMAUP database
2-Hydroxyadipic acid	193530	Click to see C(CC(C(=O)O)O)CC(=O)O	162.14	unknown	via CMAUP database
2-Hydroxyhexanoic acid	99824	Click to see CCCCC(C(=O)O)O	132.16	unknown	via CMAUP database
Azelaic Acid	2266	Click to see C(CCCC(=O)O)CCCC(=O)O	188.22	unknown	via CMAUP database
Capric Acid	2969	Click to see CCCCCCCCCC(=O)O	172.26	unknown	via CMAUP database
Hydron;octanedioate	22494956	Click to see [H+].[H+].C(CCCC(=O)[O-])CCC(=O)[O-]	174.19	unknown	via CMAUP database
Lauric Acid	3893	Click to see CCCCCCCCCCCC(=O)O	200.32	unknown	via CMAUP database
Undecanedioic Acid	15816	Click to see C(CCCCC(=O)O)CCCCC(=O)O	216.27	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Straight chain fatty acids
Butanoate	104775	Click to see CCCC(=O)[O-]	87.10	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
(113C)Tetracosanoic acid	16213616	Click to see CCCCCCCCCCCCCCCCCCCCCCCC(=O)O	369.60	unknown	via CMAUP database
Behenic Acid	8215	Click to see CCCCCCCCCCCCCCCCCCCCCC(=O)O	340.60	unknown	via CMAUP database
Erucic Acid	5281116	Click to see CCCCCCCCC=CCCCCCCCCCCCC(=O)O	338.60	unknown	via CMAUP database
Lignoceric Acid	11197	Click to see CCCCCCCCCCCCCCCCCCCCCCCC(=O)O	368.60	unknown	via CMAUP database
Pentacosanoic acid	10468	Click to see CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	382.70	unknown	via CMAUP database
Tricosanoic acid	17085	Click to see CCCCCCCCCCCCCCCCCCCCCCC(=O)O	354.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
1-Heptanol	8129	Click to see CCCCCCCO	116.20	unknown	via CMAUP database
1-Hexanol	8103	Click to see CCCCCCO	102.17	unknown	via CMAUP database
1-Octanol	957	Click to see CCCCCCCCO	130.23	unknown	via CMAUP database
> 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 / Lineolic acids and derivatives
Linoleic Acid	5280450	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	via CMAUP database
Linolenic Acid	5280934	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O	278.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Glycerolipids / Glycosylglycerols / Glycosyldiacylglycerols / Sulfoquinovosyldiacylglycerols
Sulfoquinovosyl diglyceride	56842030	Click to see CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O)COC(=O)CCCC=CCC=CCC=CCC=CCC=CCC	841.10	unknown	https://doi.org/10.1055/S-2006-960012
> Lipids and lipid-like molecules / Glycerolipids / Triradylcglycerols / Triacylglycerols
Glyceryl Trioleate	5497163	Click to see CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC	885.40	unknown	https://doi.org/10.1055/S-2006-960012
> Lipids and lipid-like molecules / Glycerophospholipids / Glycerophosphoinositols / Lysophosphatidylinositols / 1-acyl-sn-glycerol-3-phosphoinositols
Lysophosphatidylinositol	73755067	Click to see CC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)O	376.25	unknown	https://doi.org/10.1055/S-2006-960012
> Lipids and lipid-like molecules / Glycerophospholipids / Glycerophosphoserines / Phosphatidylserines
2-Amino-3-[(2-butanoyloxy-3-propanoyloxypropoxy)-hydroxyphosphoryl]oxypropanoic acid	74934166	Click to see CCCC(=O)OC(COC(=O)CC)COP(=O)(O)OCC(C(=O)O)N	385.30	unknown	https://doi.org/10.1055/S-2006-960012
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Tigliane and ingenane diterpenoids
[(1S,4S,5R,6R,9S,14R)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl hexadecanoate	5318035	Click to see CCCCCCCCCCCCCCCC(=O)OCC1=CC2C3C(C3(C)C)CC(C4(C2=O)C=C(C(C4(C1O)O)O)C)C	586.80	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
Linalool, (-)-	443158	Click to see CC(=CCCC(C)(C=C)O)C	154.25	unknown	via CMAUP database
Linalool, (+)-	67179	Click to see CC(=CCCC(C)(C=C)O)C	154.25	unknown	via CMAUP database
Linalool, (+/-)-	6549	Click to see CC(=CCCC(C)(C=C)O)C	154.25	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
p-CYMENE	7463	Click to see CC1=CC=C(C=C1)C(C)C	134.22	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(-)-Camphor	444294	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	via CMAUP database
3-Thujanone	11027	Click to see CC1C2CC2(CC1=O)C(C)C	152.23	unknown	via CMAUP database
alpha-Thujone	12304613	Click to see CC1C2CC2(CC1=O)C(C)C	152.23	unknown	via CMAUP database
beta-Pinene	14896	Click to see CC1(C2CCC(=C)C1C2)C	136.23	unknown	via CMAUP database
Camphor	2537	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	via CMAUP database
Camphor (synthetic)	159055	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	via CMAUP database
Camphor, (1S,4S)-(-)-	10050	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	via CMAUP database
d-2-Bornanone	9543187	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	via CMAUP database
d-Camphor	230921	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	via CMAUP database
d-Isothujone	249286	Click to see CC1C2CC2(CC1=O)C(C)C	152.23	unknown	via CMAUP database
Norbornane, 2-isobutyl-	565405	Click to see CC(C)CC1CC2CCC1C2	152.28	unknown	via CMAUP database
trans-Thujone	6432452	Click to see CC1C2CC2(CC1=O)C(C)C	152.23	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
(+)-p-Menth-1-ene	11815433	Click to see CC1=CCC(CC1)C(C)C	138.25	unknown	via CMAUP database
Cyclohexene, 1-methyl-4-(1-methylethyl)-	21671	Click to see CC1=CCC(CC1)C(C)C	138.25	unknown	via CMAUP database
Cyclohexene, 1-methyl-4-(1-methylethyl)-, (R)-	70954	Click to see CC1=CCC(CC1)C(C)C	138.25	unknown	via CMAUP database
Limonene, (-)-	439250	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	via CMAUP database
Limonene, (+)-	440917	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	via CMAUP database
Limonene, (+/-)-	22311	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	via CMAUP database
P-Menth-1-en-9-al	520440	Click to see CC1=CCC(CC1)C(C)C=O	152.23	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
4,7-Dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-3-ol	5315645	Click to see CC(=CCCC1(C2CCC1(C(C2)O)C)C)C	222.37	unknown	via CMAUP database
Campherenone	5315646	Click to see CC(=CCCC1(C2CCC1(C(=O)C2)C)C)C	220.35	unknown	via CMAUP database
Caryophyllene	5281515	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	via CMAUP database
Methyl farnesoate	5275508	Click to see CC(=CCCC(=CCCC(=CC(=O)OC)C)C)C	250.38	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Guaianes
Pogostol methyl ether	10633596	Click to see CC1CCC2C1CC(CCC2(C)OC)C(=C)C	236.39	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
Beta-Carotene	5280489	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C	536.90	unknown	https://doi.org/10.1002/JPS.3030301003
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(1R,2R,9S,10R,12R,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-10,16-diol	24893490	Click to see CC1CCC2(C(C3C(O2)CC4C3(C(CC5C4CC=C6C5(CCC(C6)O)C)O)C)C)OC1	430.60	unknown	via CMAUP database
(3S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-3-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-2-one	14465808	Click to see CC1C(C(=O)CC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O	442.70	unknown	via CMAUP database
Friedelin	91472	Click to see CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C	426.70	unknown	via CMAUP database
Neoruscogenin	9910474	Click to see CC1C2C(CC3C2(CCC4C3CC=C5C4(C(CC(C5)O)O)C)C)OC16CCC(=C)CO6	428.60	unknown	via CMAUP database
Ruscogenin	441893	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)O)C)C)C)OC1	430.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Saccharolipids
(3S)-3-hydroxy-4-oxo-4-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]butanoic acid	162948563	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)COC(=O)C(CC(=O)O)O)O)O)O)O	458.37	unknown	https://doi.org/10.1016/J.CARRES.2005.11.022
(3S)-3-hydroxy-4-oxo-4-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]butanoic acid	163006481	Click to see C(C1C(C(C(C(O1)O)O)O)O)OC(=O)C(CC(=O)O)O	296.23	unknown	https://doi.org/10.1016/J.CARRES.2005.11.022
(3S)-4-[[(2R,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-6-[[(2S)-3-carboxy-2-hydroxypropanoyl]oxymethyl]-5-[(2R,3R,4R,5S,6R)-6-[[(2S)-3-carboxy-2-hydroxypropanoyl]oxymethyl]-5-[(2R,3R,4R,5S,6R)-6-[[(2S)-3-carboxy-2-hydroxypropanoyl]oxymethyl]-5-[(2R,3R,4R,5S,6R)-6-[[(2S)-3-carboxy-2-hydroxypropanoyl]oxymethyl]-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5,6-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-4-oxobutanoic acid	162965050	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)O)COC(=O)C(CC(=O)O)O)COC(=O)C(CC(=O)O)O)COC(=O)C(CC(=O)O)O)COC(=O)C(CC(=O)O)O)COC(=O)C(CC(=O)O)O)O)O)O)O	1571.20	unknown	https://doi.org/10.1016/J.CARRES.2005.11.022
3-Hydroxy-4-oxo-4-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]butanoic acid	72761399	Click to see C(C1C(C(C(C(O1)O)O)O)O)OC(=O)C(CC(=O)O)O	296.23	unknown	https://doi.org/10.1016/J.CARRES.2005.11.022
3-Hydroxy-4-oxo-4-[[4,5,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]butanoic acid	72967598	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)COC(=O)C(CC(=O)O)O)O)O)O)O	458.37	unknown	https://doi.org/10.1016/J.CARRES.2005.11.022
4-[[3-[6-[(3-Carboxy-2-hydroxypropanoyl)oxymethyl]-5-[6-[(3-carboxy-2-hydroxypropanoyl)oxymethyl]-5-[6-[(3-carboxy-2-hydroxypropanoyl)oxymethyl]-5-[6-[(3-carboxy-2-hydroxypropanoyl)oxymethyl]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5,6-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-4-oxobutanoic acid	73069081	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)O)COC(=O)C(CC(=O)O)O)COC(=O)C(CC(=O)O)O)COC(=O)C(CC(=O)O)O)COC(=O)C(CC(=O)O)O)COC(=O)C(CC(=O)O)O)O)O)O)O	1571.20	unknown	https://doi.org/10.1016/J.CARRES.2005.11.022
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Dihydroxy bile acids, alcohols and derivatives
(22r)-22-Hydroxycholes-terol	13754059	Click to see CC(C)CCC(C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O	402.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cholestane steroids / Cholesterols and derivatives
Cholesta-5,8(14)-dien-3beta-ol	46840178	Click to see CC(C)CCCC(C)C1CCC2=C3CC=C4CC(CCC4(C3CCC12C)C)O	384.60	unknown	via CMAUP database
Cholestanol	6665	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C	388.70	unknown	via CMAUP database
Cholesterol	5997	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	386.70	unknown	https://doi.org/10.1055/S-2006-960012
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
(24R)-5-Ergosten-3\|A-ol	51051617	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CC=C(C4)O)C)C	400.70	unknown	via CMAUP database
22,23-Dihydrobrassicasterol	5283637	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	400.70	unknown	via CMAUP database
5-Cholestene-3-ol, 24-methyl-	312822	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	400.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid esters
Campesteryl Ferulate	15056832	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C=CC5=CC(=C(C=C5)O)OC)C)C	576.80	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid esters / Cholesteryl esters
[(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	5315843	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C=CC5=CC(=C(C=C5)O)OC)C)C	562.80	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid lactones / Cardenolides and derivatives / Cardenolide glycosides and derivatives
3-[(5R,10R,14S)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one	6325934	Click to see CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)CO)O)OC)O	550.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides / Steroidal saponins
(23S)-1beta-[[2-O-[3-O-(beta-D-Glucopyranosyl)-alpha-L-rhamnopyranosyl]-alpha-L-arabinopyranosyl]oxy]-23-(beta-D-glucopyranosyloxy)spirosta-5,25(27)-diene-3beta-ol	10581939	Click to see CC1C2C(CC3C2(CCC4C3CC=C5C4(C(CC(C5)O)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)C)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)OC19C(CC(=C)CO9)OC1C(C(C(C(O1)CO)O)O)O	1047.10	unknown	via CMAUP database
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(1S,2S,3'S,4S,5'R,6S,7S,8R,9S,12S,13R,16S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-3'-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol	100982641	Click to see CC1CC(C2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O	754.90	unknown	via CMAUP database
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-4,5-dihydroxy-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol	44575746	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)C)OC1	708.90	unknown	via CMAUP database
[(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-[(2S,3R,4S,5S)-2-[(1S,2S,3'S,4S,4'S,6S,7S,8R,9S,12S,13R,14R,16R)-4'-[[(2R,5S,6R,7R,8R,10R)-6,7-dihydroxy-2-[(2S)-2-hydroxybutan-2-yl]-10-methyl-3-oxo-1,4,9-trioxaspiro[4.5]decan-8-yl]oxy]-3',16-dihydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-2-methyloxan-3-yl] acetate	21590070	Click to see CCC(C)(C1C(=O)OC2(O1)C(OC(C(C2O)O)OC3C(C4(C(C5C(O4)CC6C5(CCC7C6CC=C8C7(C(CC(C8)O)OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)C)OC(=O)C)OC(=O)C)OC(=O)C)C)C)C)OCC3=C)O)C)O	1139.20	unknown	via CMAUP database
[(3S,4S,5R,6S)-5-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl] acetate	101937241	Click to see CC1C2C(CC3C2(CCC4C3CC=C5C4(C(CC(C5)O)OC6C(C(C(CO6)OC(=O)C)O)OC7C(C(C(C(O7)C)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)OC19CCC(=C)CO9	911.00	unknown	via CMAUP database
1beta-[(2-O-alpha-L-Rhamnopyranosyl-alpha-L-arabinopyranosyl)oxy]-26-(beta-D-glucopyranosyloxy)furosta-5,20(22),25(27)-trien-3beta-ol	44567205	Click to see CC1C(C(C(C(O1)OC2C(C(COC2OC3CC(CC4=CCC5C(C34C)CCC6(C5CC7C6C(=C(O7)CCC(=C)COC8C(C(C(C(O8)CO)O)O)O)C)C)O)O)O)O)O)O	869.00	unknown	via CMAUP database
Aculeoside B	154169	Click to see CC1CC(C2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)OC7C(C(C(C(O7)COC(=O)C)OC(=O)C)OC(=O)C)OC8C(C(C(C(O8)C)O)OC9C(C(C(C(O9)CO)O)O)O)O)C)C)C)OC1)OC1C(C(C(C(O1)CO)O)O)O	1205.30	unknown	via CMAUP database
CID 10462472	10462472	Click to see CC1C2C(CC3C2(CCC4C3CC=C5C4(C(CC(C5)O)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)C)O)O)O)C)C)OC18CCC(=C)CO8	706.90	unknown	via CMAUP database
Ruscin(P)	13935613	Click to see CC1C2C(CC3C2(CCC4C3CC=C5C4(C(CC(C5)O)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)C)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)OC19CCC(=C)CO9	869.00	unknown	via CMAUP database
Ruscoside	91936850	Click to see CC1C2C(CC3C2(CCC4C3CC=C5C4(C(CC(C5)O)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)C)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)OC1(CCC(=C)COC9C(C(C(C(O9)CO)O)O)O)O	1049.20	unknown	via CMAUP database
> 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	https://doi.org/10.1055/S-2002-26750
24-Ethylcholest-5-en-3beta-ol	22012	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.1055/S-2002-26750
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
beta-Sitosterol 3-O-beta-D-galactopyranoside	296119	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C	576.80	unknown	https://doi.org/10.1002/MRC.855 https://doi.org/10.1055/S-2002-26750
Sitogluside	5742590	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C	576.80	unknown	https://doi.org/10.1002/MRC.855 https://doi.org/10.1055/S-2002-26750
Stigmasterol	5280794	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.1055/S-2006-960012
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives
L-Pyroglutamic acid	7405	Click to see C1CC(=O)NC1C(=O)O	129.11	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-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 / 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
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 / Proline and derivatives
D-Pyroglutamic acid	439685	Click to see C1CC(=O)NC1C(=O)O	129.11	unknown	via CMAUP database
DL-Pyroglutamic acid	499	Click to see C1CC(=O)NC1C(=O)O	129.11	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 / Gamma amino acids and derivatives
4-Aminobutanoate	6992099	Click to see C(CC(=O)[O-])C[NH3+]	103.12	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides
(2S)-2-azaniumyl-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate	25246407	Click to see C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)[O-])[NH3+]	307.33	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
Butyl formate	11614	Click to see CCCCOC=O	102.13	unknown	via CMAUP database
Ethyl Acetate	8857	Click to see CCOC(=O)C	88.11	unknown	via CMAUP database
Ethyl acetate-1-13C	12206859	Click to see CCOC(=O)C	89.10	unknown	via CMAUP database
Methyl formate	7865	Click to see COC=O	60.05	unknown	via CMAUP database
Propyl formate	8073	Click to see CCCOC=O	88.11	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters / Methyl esters
Methyl Acetate	6584	Click to see CC(=O)OC	74.08	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
Butanedioate;hydron	21952380	Click to see [H+].[H+].C(CC(=O)[O-])C(=O)[O-]	118.09	unknown	via CMAUP database
Oxalic Acid	971	Click to see C(=O)(C(=O)O)O	90.03	unknown	https://doi.org/10.1002/JPS.3030301003
> Organic acids and derivatives / Carboxylic acids and derivatives / Tetracarboxylic acids and derivatives
(+)-Dibenzoyl-D-tartaric acid	86498	Click to see C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O	358.30	unknown	via CMAUP database
> Organic acids and derivatives / Hydroxy acids and derivatives / Alpha hydroxy acids and derivatives
(R)-2-Hydroxybutyric acid	449265	Click to see CCC(C(=O)O)O	104.10	unknown	via CMAUP database
(S)-2-Hydroxybutyric acid	440864	Click to see CCC(C(=O)O)O	104.10	unknown	via CMAUP database
2-Hydroxybutyric acid	11266	Click to see CCC(C(=O)O)O	104.10	unknown	via CMAUP database
2-Oxonioacetate	3698251	Click to see C(C(=O)[O-])[OH2+]	76.05	unknown	via CMAUP database
D-Lactic acid	61503	Click to see CC(C(=O)O)O	90.08	unknown	via CMAUP database
Hydron;2-hydroxypropanoate	19789253	Click to see [H+].CC(C(=O)[O-])O	90.08	unknown	via CMAUP database
Lactic Acid, L-	107689	Click to see CC(C(=O)O)O	90.08	unknown	via CMAUP database
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
(2S)-2-Hydroxybutanedioic acid	222656	Click to see C(C(C(=O)O)O)C(=O)O	134.09	unknown	via CMAUP database
(R)-3-Hydroxybutyric acid	92135	Click to see CC(CC(=O)O)O	104.10	unknown	via CMAUP database
(S,S)-Tartrate	5460284	Click to see C(C(C(=O)[O-])O)(C(=O)[O-])O	148.07	unknown	via CMAUP database
(S)-3-Hydroxybutyric acid	94318	Click to see CC(CC(=O)O)O	104.10	unknown	via CMAUP database
3-Hydroxybutyric acid	441	Click to see CC(CC(=O)O)O	104.10	unknown	via CMAUP database
3-Hydroxypropionic acid	68152	Click to see C(CO)C(=O)O	90.08	unknown	via CMAUP database
D-malate	92824	Click to see C(C(C(=O)O)O)C(=O)O	134.09	unknown	via CMAUP database
Hydron;2-hydroxybutanedioate	20130941	Click to see [H+].[H+].C(C(C(=O)[O-])O)C(=O)[O-]	134.09	unknown	via CMAUP database
> Organic acids and derivatives / Keto acids and derivatives / Alpha-keto acids and derivatives
Pyruvic Acid	1060	Click to see CC(=O)C(=O)O	88.06	unknown	via CMAUP database
> Organic acids and derivatives / Keto acids and derivatives / Short-chain keto acids and derivatives
3-Methyl-2-oxobutanoic acid	49	Click to see CC(C)C(=O)C(=O)O	116.11	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
3-Feruloylquinic acid	10133609	Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O	368.30	unknown	via CMAUP database
Chlorogenic Acid	1794427	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	354.31	unknown	via CMAUP database
cis-Chlorogenic acid	1794425	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	354.31	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Polyols / 1,2-diols
(2S,3S)-butane-2,3-diol	439888	Click to see CC(C(C)O)O	90.12	unknown	via CMAUP database
(R,R)-2,3-butanediol	225936	Click to see CC(C(C)O)O	90.12	unknown	via CMAUP database
2,3-Butanediol	262	Click to see CC(C(C)O)O	90.12	unknown	via CMAUP database
2,3-Pentanediol	123505	Click to see CCC(C(C)O)O	104.15	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols
(S)-(-)-2-Methyl-1-butanol	2723602	Click to see CCC(C)CO	88.15	unknown	via CMAUP database
1-Propanol	1031	Click to see CCCO	60.10	unknown	via CMAUP database
2-Methyl-1-butanol	8723	Click to see CCC(C)CO	88.15	unknown	via CMAUP database
2-Methyl-1-butanol, (+)-	637572	Click to see CCC(C)CO	88.15	unknown	via CMAUP database
2-Methyl-1,3-propanediol	75103	Click to see CC(CO)CO	90.12	unknown	via CMAUP database
Ethanol	702	Click to see CCO	46.07	unknown	via CMAUP database
Isoamyl alcohol	31260	Click to see CC(C)CCO	88.15	unknown	via CMAUP database
Isobutanol	6560	Click to see CC(C)CO	74.12	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
(3R)-hexan-3-ol	6994293	Click to see CCCC(CC)O	102.17	unknown	via CMAUP database
(3S)-hexan-3-ol	638098	Click to see CCCC(CC)O	102.17	unknown	via CMAUP database
(R)-(-)-2-Butanol	84682	Click to see CCC(C)O	74.12	unknown	via CMAUP database
(R)-butane-1,3-diol	637497	Click to see CC(CCO)O	90.12	unknown	via CMAUP database
(S)-(+)-2-butanol	444683	Click to see CCC(C)O	74.12	unknown	via CMAUP database
(S)-butane-1,3-diol	446973	Click to see CC(CCO)O	90.12	unknown	via CMAUP database
1,3-Butanediol	7896	Click to see CC(CCO)O	90.12	unknown	via CMAUP database
2-Butanol	6568	Click to see CCC(C)O	74.12	unknown	via CMAUP database
3-Hexanol	12178	Click to see CCCC(CC)O	102.17	unknown	via CMAUP database
7-Methyloctan-4-ol	118118	Click to see CCCC(CCC(C)C)O	144.25	unknown	via CMAUP database
Isopropyl Alcohol	3776	Click to see CC(C)O	60.10	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
2-Methyl-3-buten-2-ol	8257	Click to see CC(C)(C=C)O	86.13	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
beta-D-Fructofuranosyl alpha-D-glucopyranoside	91692850	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	via CMAUP database
D-Alt(a1-2a)L-Psif	53301851	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	via CMAUP database
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	via CMAUP database
Sucrose NF	46782954	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	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
(2S)-4-[(E)-2-[(2R)-2-carboxy-5-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid	102154177	Click to see C1C(N=C(C=C1C=CN2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C(=O)O)C(=O)O)C(=O)O	726.60	unknown	via CMAUP database
[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	11968379	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)COC(=O)C=CC4=CC(=C(C=C4)O)OC)O)O)O)O	570.50	unknown	via CMAUP database
[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[5-methyl-4-oxo-2-(2-oxopropyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]oxan-3-yl] (E)-3-phenylprop-2-enoate	154496138	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=CC=C4)OC5C(C(C(C(O5)CO)O)O)O	686.70	unknown	https://doi.org/10.1016/S0031-9422(97)01071-6
[(2S,3R,4S,5S,6R)-2-[2-[(1S,2S)-1,2-dihydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate	158512611	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)C(C(C)O)O)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=CC=C4)OC	556.60	unknown	https://doi.org/10.1016/S0031-9422(97)01071-6
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxy-6-oxopyran-2-yl)-3-methylphenoxy]-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-eneperoxoate	102435797	Click to see CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)OC3C(C(C(C(O3)CO)O)O)OOC(=O)C=CC4=CC=C(C=C4)O)O	572.50	unknown	via CMAUP database
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxy-6-oxopyran-2-yl)-3-methylphenoxy]-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate	14211227	Click to see CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)OC3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)O	556.50	unknown	https://doi.org/10.1016/J.FITOTE.2009.07.006
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	14542263	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(C)O)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O)OC	572.60	unknown	https://doi.org/10.1055/S-2008-1074496
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate	156620292	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(C)O)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)OC	556.60	unknown	https://doi.org/10.1055/S-2008-1074496
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(2S)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] (E)-3-phenylprop-2-enoate	101999898	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(C)O)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=CC=C4)OC	540.60	unknown	https://doi.org/10.1016/0031-9422(96)00306-8
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-2,3-dihydrochromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	5317343	Click to see CC1=CC(=C(C2=C1C(=O)CC(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)OC)O	572.60	unknown	via CMAUP database
[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate	9871996	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)O	540.50	unknown	via CMAUP database
[4,5-Dihydroxy-2-[5-hydroxy-2-(4-methoxy-6-oxopyran-2-yl)-3-methylphenoxy]-6-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate	163077234	Click to see CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)OC3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)O	556.50	unknown	https://doi.org/10.1016/J.FITOTE.2009.07.006
[4,5-Dihydroxy-6-(hydroxymethyl)-2-[2-(2-hydroxypropyl)-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate	75581194	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(C)O)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O)OC	572.60	unknown	https://doi.org/10.1016/S0031-9422(97)00148-9 https://doi.org/10.1055/S-2008-1074496
[4,5-Dihydroxy-6-(hydroxymethyl)-2-[2-(2-hydroxypropyl)-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate	73806251	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(C)O)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)OC	556.60	unknown	https://doi.org/10.1016/0031-9422(96)00306-8 https://doi.org/10.1055/S-2008-1074496
[4,5-Dihydroxy-6-(hydroxymethyl)-2-[2-(2-hydroxypropyl)-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] 3-phenylprop-2-enoate	73864173	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(C)O)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=CC=C4)OC	540.60	unknown	https://doi.org/10.1016/0031-9422(96)00306-8
[4,5-Dihydroxy-6-(hydroxymethyl)-2-[2-(4-methoxy-6-oxopyran-2-yl)-3-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate	78410330	Click to see CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)OC3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O	718.70	unknown	https://doi.org/10.1016/J.FITOTE.2009.07.006
[4,5-Dihydroxy-6-(hydroxymethyl)-2-[5-methyl-4-oxo-2-(2-oxopropyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]oxan-3-yl] 3-phenylprop-2-enoate	163105698	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=CC=C4)OC5C(C(C(C(O5)CO)O)O)O	686.70	unknown	https://doi.org/10.1016/0021-9673(96)00342-1
1-[4-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-1-hydroxy-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynaphthalen-2-yl]ethanone	163064546	Click to see CC1C(C(C(C(O1)OC2=CC=CC3=C2C(=C(C=C3COC4C(C(C(CO4)OC5C(C(C(C(O5)CO)O)O)O)O)O)C(=O)C)O)O)O)O	672.60	unknown	https://doi.org/10.1016/J.FITOTE.2009.07.006
1-[4-[[3,4-Dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-1-hydroxy-8-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxynaphthalen-2-yl]ethanone	163064543	Click to see CC1C(C(C(C(O1)OC2=CC=CC3=C2C(=C(C=C3COC4C(C(C(CO4)OC5C(C(C(C(O5)CO)O)O)O)O)O)C(=O)C)O)O)O)O	672.60	unknown	https://doi.org/10.1016/J.FITOTE.2009.07.006
1,5-Anhydro-1-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-1-benzopyran-8-yl]-2-O-[3-(4-hydroxyphenyl)acryloyl]hexitol	57370126	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)O	540.50	unknown	https://doi.org/10.1016/S0031-9422(00)00252-1
2-(1,2-Dihydroxyethyl)-7-methoxy-5-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	162843627	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)C(CO)O)C3C(C(C(C(O3)CO)O)O)O)OC	412.40	unknown	https://doi.org/10.1055/S-2008-1074496
2-(1,2-Dihydroxypropyl)-7-methoxy-5-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	162921800	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)C(C(C)O)O)C3C(C(C(C(O3)CO)O)O)O)OC	426.40	unknown	https://doi.org/10.1016/S0031-9422(97)00148-9
2-(2-Hydroxypropyl)-7-methoxy-5-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	75581319	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(C)O)C3C(C(C(C(O3)CO)O)O)O)OC	410.40	unknown	https://doi.org/10.1016/0031-9422(96)00306-8 https://doi.org/10.1055/S-2008-1074496
2-[(1R,2R)-1,2-dihydroxypropyl]-7-methoxy-5-methyl-8-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	158129759	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)C(C(C)O)O)C3C(C(C(C(O3)CO)O)O)O)OC	426.40	unknown	https://doi.org/10.1016/S0031-9422(97)01071-6
2-[(1R,2S)-1,2-dihydroxypropyl]-7-methoxy-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	162921801	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)C(C(C)O)O)C3C(C(C(C(O3)CO)O)O)O)OC	426.40	unknown	https://doi.org/10.1016/S0031-9422(97)00148-9
2-[(1R)-1,2-dihydroxyethyl]-7-methoxy-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	162843628	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)C(CO)O)C3C(C(C(C(O3)CO)O)O)O)OC	412.40	unknown	https://doi.org/10.1055/S-2008-1074496
2-[(2S)-2-hydroxypropyl]-7-methoxy-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	101602078	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(C)O)C3C(C(C(C(O3)CO)O)O)O)OC	410.40	unknown	https://doi.org/10.1016/0031-9422(96)00306-8
4-methoxy-3-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one	11968633	Click to see CC1C2=C(C=C3C=CC=C(C3=C2OC)OC4C(C(C(C(O4)CO)O)O)O)C(=O)O1	406.40	unknown	via CMAUP database
4-O-beta-D-glucosyl-4-coumaric acid	9840292	Click to see C1=CC(=CC=C1C=CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O	326.30	unknown	via CMAUP database
6-[4-hydroxy-2-methyl-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one	44237202	Click to see CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)OC3C(C(C(C(O3)CO)O)O)O)O	410.40	unknown	via CMAUP database
7-Hydroxy-2-(2-hydroxypropyl)-5-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	24947626	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(C)O)C3C(C(C(C(O3)CO)O)O)O)O	396.40	unknown	https://doi.org/10.1016/S0031-9422(97)00148-9 https://doi.org/10.1055/S-2008-1074496
7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	101602076	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(C)O)C3C(C(C(C(O3)CO)O)O)O)O	396.40	unknown	https://doi.org/10.1016/S0031-9422(97)00148-9
7-hydroxy-5-methyl-2-(2-oxopropyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	11972379	Click to see CC1=C(C(=CC2=C1C(=O)C=C(O2)CC(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O	410.40	unknown	via CMAUP database
7-Hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	364666	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)O)O	394.40	unknown	https://doi.org/10.1055/S-2008-1074496 https://doi.org/10.2174/092986710790112620 https://doi.org/10.1055/S-2006-957907
7-Methoxy-5-methyl-2-prop-1-enyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	75581316	Click to see CC=CC1=CC(=O)C2=C(O1)C(=C(C=C2C)OC)C3C(C(C(C(O3)CO)O)O)O	392.40	unknown	https://doi.org/10.1055/S-2008-1074496
7-O-Methylaloeresin A	637110	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)OC	554.50	unknown	via CMAUP database
7-O-Methylaloesinol	101602077	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(C)O)C3C(C(C(C(O3)CO)O)O)O)OC	410.40	unknown	https://doi.org/10.1055/S-2008-1074496
8-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-7-hydroxy-5-methyl-2-(2-oxopropyl)chromen-4-one	102445577	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(O3)C(CO)O)O)O)O	394.40	unknown	https://doi.org/10.1055/S-2006-957907
8-[5-(1,2-Dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]-7-hydroxy-5-methyl-2-(2-oxopropyl)chromen-4-one	75528830	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(O3)C(CO)O)O)O)O	394.40	unknown	https://doi.org/10.1055/S-2006-957907
8-C-Glucopyranosylnoreugenin	85114699	Click to see CC1=CC(=O)C2=C(O1)C(=C(C=C2O)O)C3C(C(C(C(O3)CO)O)O)O	354.31	unknown	https://doi.org/10.1016/S0031-9422(97)01071-6
8-c-glucosyl-(2'-O-cinnamoyl)-7-O-methylaloediol a	15834970	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)C(C(C)O)O)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)OC	572.60	unknown	https://doi.org/10.1016/S0031-9422(97)01071-6
8-C-Glucosyl-(R)-aloesol	11732015	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(C)O)C3C(C(C(C(O3)CO)O)O)O)O	396.40	unknown	https://doi.org/10.1055/S-2008-1074496
Aloenin	162305	Click to see CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)OC3C(C(C(C(O3)CO)O)O)O)O	410.40	unknown	https://doi.org/10.1021/JF010179C
Aloenin B	6442939	Click to see CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)OC3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O	718.70	unknown	https://doi.org/10.1016/J.FITOTE.2009.07.006
Aloeresin A	5317657	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)O	540.50	unknown	https://doi.org/10.1016/S0031-9422(00)00252-1 https://doi.org/10.1021/JF010179C
Aloeresin D	14211225	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(C)O)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)OC	556.60	unknown	https://doi.org/10.1300/J044V04N03_04 https://doi.org/10.1055/S-2008-1074496
Aloeresin G	5317680	Click to see CC=CC1=CC(=O)C2=C(O1)C(=C(C=C2C)OC)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O	538.50	unknown	via CMAUP database
Aloesin	160190	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)O)O	394.40	unknown	https://doi.org/10.1016/0031-9422(96)00306-8 https://doi.org/10.2174/092986710790112620 https://doi.org/10.1016/0021-9673(96)00342-1 https://doi.org/10.1300/J044V04N03_04 https://doi.org/10.1021/JF010179C https://doi.org/10.1055/S-2006-957907 https://doi.org/10.1055/S-2008-1074496
C-2'-decoumaroyl-aloeresin G	70697807	Click to see CC=CC1=CC(=O)C2=C(O1)C(=C(C=C2C)OC)C3C(C(C(C(O3)CO)O)O)O	392.40	unknown	https://doi.org/10.1055/S-2008-1074496
Clove-3	10338198	Click to see CC1=CC(=O)C2=C(O1)C(=C(C=C2O)O)C3C(C(C(C(O3)CO)O)O)O	354.31	unknown	https://doi.org/10.1016/S0031-9422(97)01071-6
Isoaloeresin D	76332505	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(C)O)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)OC	556.60	unknown	https://doi.org/10.1016/0031-9422(96)00306-8 https://doi.org/10.1016/0021-9673(96)00342-1 https://doi.org/10.1016/S0031-9422(97)01071-6 https://doi.org/10.1021/JF010179C
Isorabaichromone	10370832	Click to see CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(C)O)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O)OC	572.60	unknown	https://doi.org/10.1016/S0031-9422(97)00148-9 https://doi.org/10.1016/S0031-9422(97)01071-6
Suffruticoside A	9986231	Click to see CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)COC3C(C(CO3)(COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O	612.50	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides
D-(-)-Fructose	5984	Click to see C(C(C(C(C(=O)CO)O)O)O)O	180.16	unknown	https://doi.org/10.1002/JPS.3030301003
D-Fructose	2723872	Click to see C1C(C(C(C(O1)(CO)O)O)O)O	180.16	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
alpha-L-Rhamnose	439710	Click to see CC1C(C(C(C(O1)O)O)O)O	164.16	unknown	via CMAUP database
D-Glucose	5793	Click to see C(C1C(C(C(C(O1)O)O)O)O)O	180.16	unknown	via CMAUP database
L-Galactose	24749	Click to see C(C(C(C(C(C=O)O)O)O)O)O	180.16	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Pentoses
(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal	66308	Click to see C(C(C(C(C=O)O)O)O)O	150.13	unknown	via CMAUP database
L-Arabinose	439195	Click to see C1C(C(C(C(O1)O)O)O)O	150.13	unknown	via CMAUP database
L-ribopyranose	11008084	Click to see C1C(C(C(C(O1)O)O)O)O	150.13	unknown	via CMAUP database
Pentose	229	Click to see C1C(C(C(C(O1)O)O)O)O	150.13	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
(2S,3S,4R,5S,6S)-6-[(2R,3R,4R,5S,6R)-6-[(2R,3S,4R,5S,6R)-5-acetamido-6-[(2R,3R,4R,5S,6R)-4-acetyloxy-6-[(2R,3R,4R,5S,6R)-4-acetyloxy-6-[(2R,3R,4R,5S,6S)-4-acetyloxy-5-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-acetyloxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-acetyloxy-3-[(2R,3S,4R,5R,6R)-4-acetyloxy-5-[(2R,3S,4R,5R,6R)-4-acetyloxy-3-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxyoxane-2-carboxylic acid	72042	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	1692.50	unknown	https://doi.org/10.1016/0192-0561(88)90043-4 https://doi.org/10.1002/1099-1573(200006)14:4<261::AID-PTR579>3.0.CO;2-A https://doi.org/10.1016/0008-6215(93)80122-U
Glycoprotein	439212	Click to see CC(=O)NC1C(C(C(OC1NC(=O)CC(C(=O)N)NC(=O)C)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)NC(=O)C)O	741.70	unknown	via CMAUP database
Man3Ac4Me(b1-4)Man3Ac(b1-4)ManA3Ac(b1-4)Man3Ac(b1-4)D-AltNAc(b1-4)Man3Ac(b1-4)Man3Ac(b1-4)Man3Ac(b)-O-Me	134129847	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	1692.50	unknown	https://doi.org/10.1016/0192-0561(88)90043-4 https://doi.org/10.1002/1099-1573(200006)14:4<261::AID-PTR579>3.0.CO;2-A https://doi.org/10.1016/0008-6215(93)80122-U
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives
2,3-Dihydroxybutanedioate;hydron	21583978	Click to see [H+].[H+].C(C(C(=O)[O-])O)(C(=O)[O-])O	150.09	unknown	via CMAUP database
d-Tartaric acid	439655	Click to see C(C(C(=O)O)O)(C(=O)O)O	150.09	unknown	via CMAUP database
L-Tartaric acid	444305	Click to see C(C(C(=O)O)O)(C(=O)O)O	150.09	unknown	via CMAUP database
Ribonic acid	5460677	Click to see C(C(C(C(C(=O)O)O)O)O)O	166.13	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives / Glucuronic acid derivatives
alpha-D-mannuronate	25202643	Click to see C1(C(C(OC(C1O)O)C(=O)[O-])O)O	193.13	unknown	via CMAUP database
beta-D-GLUCOURONIC ACID	441478	Click to see C1(C(C(OC(C1O)O)C(=O)O)O)O	194.14	unknown	via CMAUP database
D-Alluronic Acid	6602103	Click to see C1(C(C(OC(C1O)O)C(=O)O)O)O	194.14	unknown	via CMAUP database
D-Glucuronic Acid	94715	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 / Carbohydrates and carbohydrate conjugates / Sugar alcohols
D-Arabinitol	94154	Click to see C(C(C(C(CO)O)O)O)O	152.15	unknown	via CMAUP database
Glycerin	753	Click to see C(C(CO)O)O	92.09	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / 1,3-dicarbonyl compounds / Beta-diketones
Acetylacetone	31261	Click to see CC(=O)CC(=O)C	100.12	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes
Butyraldehyde	261	Click to see CCCC=O	72.11	unknown	via CMAUP database
Isovaleraldehyde	11552	Click to see CC(C)CC=O	86.13	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 / 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
(Z)-2-hexenal	6428782	Click to see CCCC=CC=O	98.14	unknown	via CMAUP database
(Z)-non-2-enal	5354833	Click to see CCCCCCC=CC=O	140.22	unknown	via CMAUP database
2-Hepten-1-al	17167	Click to see CCCCC=CC=O	112.17	unknown	via CMAUP database
2-Heptenal	5283316	Click to see CCCCC=CC=O	112.17	unknown	via CMAUP database
2-Heptenal, (Z)-	5362616	Click to see CCCCC=CC=O	112.17	unknown	via CMAUP database
2-Hexenal	5281168	Click to see CCCC=CC=O	98.14	unknown	via CMAUP database
2-Nonenal	5283335	Click to see CCCCCCC=CC=O	140.22	unknown	via CMAUP database
Decanal	8175	Click to see CCCCCCCCCC=O	156.26	unknown	via CMAUP database
Heptanal	8130	Click to see CCCCCCC=O	114.19	unknown	via CMAUP database
Hexanal	6184	Click to see CCCCCC=O	100.16	unknown	via CMAUP database
Nonanal	31289	Click to see CCCCCCCCC=O	142.24	unknown	via CMAUP database
Octanal	454	Click to see CCCCCCCC=O	128.21	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Short-chain aldehydes
(S)-2-methylbutanal	6971249	Click to see CCC(C)C=O	86.13	unknown	via CMAUP database
2-Methylbutyraldehyde	7284	Click to see CCC(C)C=O	86.13	unknown	via CMAUP database
Acetaldehyde	177	Click to see CC=O	44.05	unknown	via CMAUP database
Isobutyraldehyde	6561	Click to see CC(C)C=O	72.11	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated aldehydes / Enals
Acrolein	7847	Click to see C=CC=O	56.06	unknown	via CMAUP database
cis-Crotonaldehyde	643950	Click to see CC=CC=O	70.09	unknown	via CMAUP database
Crotonaldehyde	447466	Click to see CC=CC=O	70.09	unknown	via CMAUP database
Tiglic aldehyde	5321950	Click to see CC=C(C)C=O	84.12	unknown	via CMAUP database
trans-Tiglaldehyde	6028462	Click to see CC=C(C)C=O	84.12	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
2,5-Dimethylcyclopentanone	96826	Click to see CC1CCC(C1=O)C	112.17	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
(S)-4,6-Dimethyl-2-heptanone	45085637	Click to see CC(C)CC(C)CC(=O)C	142.24	unknown	via CMAUP database
2-Decanone	12741	Click to see CCCCCCCCC(=O)C	156.26	unknown	via CMAUP database
2-Heptanone	8051	Click to see CCCCCC(=O)C	114.19	unknown	via CMAUP database
2-Heptanone, 4,6-dimethyl-	89180	Click to see CC(C)CC(C)CC(=O)C	142.24	unknown	via CMAUP database
2-Hexanone	11583	Click to see CCCCC(=O)C	100.16	unknown	via CMAUP database
2-Octanone	8093	Click to see CCCCCCC(=O)C	128.21	unknown	via CMAUP database
2-Pentanone	7895	Click to see CCCC(=O)C	86.13	unknown	via CMAUP database
3-Methyl-2-butanone	11251	Click to see CC(C)C(=O)C	86.13	unknown	via CMAUP database
6-Methylheptan-2-one	13572	Click to see CC(C)CCCC(=O)C	128.21	unknown	via CMAUP database
Acetone	180	Click to see CC(=O)C	58.08	unknown	via CMAUP database
Methyl Ethyl Ketone	6569	Click to see CCC(=O)C	72.11	unknown	via CMAUP database
Methyl isobutyl ketone	7909	Click to see CC(C)CC(=O)C	100.16	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones / Alpha-diketones
2,3-Butanedione	650	Click to see CC(=O)C(=O)C	86.09	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
Acetophenone	7410	Click to see CC(=O)C1=CC=CC=C1	120.15	unknown	via CMAUP database
Feralolide	5317333	Click to see CC(=O)C1=C(C=C(C=C1O)O)CC2CC3=C(C(=CC(=C3)O)O)C(=O)O2	344.30	unknown	https://doi.org/10.1007/BF02976854
> Organoheterocyclic compounds / Azepanes
Hexahydro-alpha-methyl-1H-azepine-1-ethanol	99002	Click to see CC(CN1CCCCCC1)O	157.25	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzofurans
Euparone	104654	Click to see CC(=O)C1=CC2=CC(=C(C=C2O1)O)C(=O)C	218.20	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzofurans / Dibenzofurans
Ruscodibenzofuran	323624	Click to see CC1=C2C3=CC(=C(C=C3OC2=C(C=C1)C)O)C(=O)C	254.28	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans
3-(3,4-dihydro-2H-chromen-3-yl)-3,4-dihydro-2H-chromene	101245403	Click to see C1C(COC2=CC=CC=C21)C3CC4=CC=CC=C4OC3	266.30	unknown	via CMAUP database
3-(4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol	85448775	Click to see COC1=CC2=C(C=C1)OCC(C2O)C3COC4=C(C3O)C=C(C=C4)OC	358.40	unknown	https://doi.org/10.1055/S-2006-957732
rel-(3r,3'S,4r,4's)-3,3',4,4'-tetrahydro-6,6'-dimethoxy[3,3'-bi-2h-benzopyran]-4,4'-di-ol	15894287	Click to see COC1=CC2=C(C=C1)OCC(C2O)C3COC4=C(C3O)C=C(C=C4)OC	358.40	unknown	https://doi.org/10.1055/S-2006-957732
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Hydroxypyrimidines
5-methylpyrimidine-2,4-diol	5274265	Click to see CC1=CN=C(N=C1O)O	126.11	unknown	via CMAUP database
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Pyrimidones
Uracil	1174	Click to see C1=CNC(=O)NC1=O	112.09	unknown	via CMAUP database
> Organoheterocyclic compounds / Dihydrofurans / Furanones
2-Methyltetrahydrofuran-3-one	18522	Click to see CC1C(=O)CCO1	100.12	unknown	via CMAUP database
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
Ascorbic Acid	54670067	Click to see C(C(C1C(=C(C(=O)O1)O)O)O)O	176.12	unknown	via CMAUP database
D-ascorbic acid	54690394	Click to see C(C(C1C(=C(C(=O)O1)O)O)O)O	176.12	unknown	via CMAUP database
L-[2-13C]ascorbic acid	54676536	Click to see C(C(C1C(=C(C(=O)O1)O)O)O)O	176.12	unknown	via CMAUP database
> Organoheterocyclic compounds / Furans / Furoic acid and derivatives / Furoic acids
2-Furoic acid	6919	Click to see C1=COC(=C1)C(=O)O	112.08	unknown	via CMAUP database
> Organoheterocyclic compounds / Heteroaromatic compounds
2-Methylfuran	10797	Click to see CC1=CC=CO1	82.10	unknown	via CMAUP database
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / Purinones / Hypoxanthines
CID 790	790	Click to see C1=NC2=C(N1)C(=O)N=CN2	136.11	unknown	via CMAUP database
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / Xanthines
Xanthine	1188	Click to see C1=NC2=C(N1)C(=O)NC(=O)N2	152.11	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indolecarboxylic acids and derivatives / Indolecarboxylic acids
Indole-5-carboxylic acid	74280	Click to see C1=CC2=C(C=CN2)C=C1C(=O)O	161.16	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives
2-(1H-Indol-5-YL)acetic acid	18399719	Click to see C1=CC2=C(C=CN2)C=C1CC(=O)O	175.18	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives / Indole-3-acetic acid derivatives
Indole-3-acetic acid	802	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=O)O	175.18	unknown	via CMAUP database
Sodium 2-(1H-indol-3-yl)acetate	23677501	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=O)[O-].[Na+]	197.17	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 / Isoquinolines and derivatives / Benzylisoquinolines
7-Methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol	5319195	Click to see COC1=CC=C(C=C1)CC2C3=C(CCN2)C=CC(=C3O)OC	299.40	unknown	via CMAUP database
> Organoheterocyclic compounds / Oxanes
2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-	26396	Click to see CC1(C(CCC(O1)(C)C=C)O)C	170.25	unknown	via CMAUP database
Eucalyptol	2758	Click to see CC1(C2CCC(O1)(CC2)C)C	154.25	unknown	via CMAUP database
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridinecarboxylic acids and derivatives / Pyridinecarboxylic acids
3-Hydroxypicolinic acid	13401	Click to see C1=CC(=C(N=C1)C(=O)O)O	139.11	unknown	via CMAUP database
Isonicotinic acid	5922	Click to see C1=CN=CC=C1C(=O)O	123.11	unknown	via CMAUP database
Picolinic acid	1018	Click to see C1=CC=NC(=C1)C(=O)O	123.11	unknown	via CMAUP database
> Organoheterocyclic compounds / Tetrahydrofurans
(S)-(Tetrahydrofuran-2-YL)methanol	637528	Click to see C1CC(OC1)CO	102.13	unknown	via CMAUP database
Tetrahydrofurfuryl alcohol	7360	Click to see C1CC(OC1)CO	102.13	unknown	via CMAUP database
> Organosulfur compounds / Sulfonyls / Sulfones
Dimethyl Sulfone	6213	Click to see CS(=O)(=O)C	94.14	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acids
Cinnamic acid	444539	Click to see C1=CC=C(C=C1)C=CC(=O)O	148.16	unknown	via CMAUP database
cis-Cinnamic acid	5372954	Click to see C1=CC=C(C=C1)C=CC(=O)O	148.16	unknown	via CMAUP database
trans-4-Methoxycinnamic acid	699414	Click to see COC1=CC=C(C=C1)C=CC(=O)O	178.18	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
2-Hydroxycinnamic acid, (2E)-	637540	Click to see C1=CC=C(C(=C1)C=CC(=O)O)O	164.16	unknown	via CMAUP database
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	via CMAUP database
Isoferulic acid	736186	Click to see COC1=C(C=C(C=C1)C=CC(=O)O)O	194.18	unknown	via CMAUP database
p-Coumaric acid	637542	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	via CMAUP database
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 / Coumarin glycosides
Esculin	5281417	Click to see C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O	340.28	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Diarylheptanoids / Linear diarylheptanoids
Tocris-1610	6603986	Click to see CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C(=C3C(=C2O)C=CC(O3)(C)C)C(=O)C=CC4=CC=CC=C4)O)O	516.50	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
(+)-Epicatechin	182232	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
Epicatechin	72276	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
Apigenin	5280443	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O	270.24	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
3,5,3',4'-Tetrahydroxy-6,7,8-trimethoxyflavone	44260067	Click to see COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)OC)OC	376.30	unknown	via CMAUP database
3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone	14483219	Click to see COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)OC)O	362.30	unknown	via CMAUP database
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
Limocitrol	12311234	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)O)O	376.30	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 C-glycosides
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	13871824	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)O)O	432.40	unknown	via CMAUP database
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	57511421	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O	432.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
Orientin	5281675	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O	448.40	unknown	via CMAUP database
Vitexin	5280441	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O	432.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
2-(2,3-Dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one	53399169	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=C(C(=CC=C5)O)O)O)O)O)O)O)O	610.50	unknown	via CMAUP database
Cacticin	5318644	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O	478.40	unknown	via CMAUP database
Hyperoside	5281643	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	via CMAUP database
Isoengeletin	101937309	Click to see CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O	434.40	unknown	via CMAUP database
Quercitrin	5280459	Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	448.40	unknown	via CMAUP database
Rutin	5280805	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O	610.50	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
Homoplantaginin	5318083	Click to see COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O	462.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
3-Methoxyluteolin	5280681	Click to see COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O	316.26	unknown	via CMAUP database
5,7,8,4'-Tetrahydroxy-3-methoxyflavone	5319442	Click to see COC1=C(OC2=C(C1=O)C(=CC(=C2O)O)O)C3=CC=C(C=C3)O	316.26	unknown	via CMAUP database
Gossypetin 3-methyl ether	5386958	Click to see COC1=C(OC2=C(C1=O)C(=CC(=C2O)O)O)C3=CC(=C(C=C3)O)O	332.26	unknown	via CMAUP database
Gossypetin 3,3'-dimethyl ether	21676153	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)OC)O	346.30	unknown	via CMAUP database
Quercetagetin 3-methyl ether	5320475	Click to see COC1=C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC(=C(C=C3)O)O	332.26	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 6-O-methylated flavonoids
4',5,7-Trihydroxy-3,6-dimethoxyflavone	5352032	Click to see COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O	330.29	unknown	via CMAUP database
5,7,2'-Trihydroxy-3,6,4',5'-tetramethoxyflavone	44259895	Click to see COC1=C(C=C(C(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)O)OC	390.30	unknown	via CMAUP database
5,7,3'-Trihydroxy-3,6,4',5'-tetramethoxyflavone	44258045	Click to see COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC	390.30	unknown	via CMAUP database
5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone	44258041	Click to see COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC	376.30	unknown	via CMAUP database
5,7,3',4',5'-Pentahydroxy-3,6-dimethoxyflavone	44259884	Click to see COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC(=C(C(=C3)O)O)O)O	362.30	unknown	via CMAUP database
5,7,8,3',4'-Pentahydroxy-3,6-dimethoxyflavone	21676156	Click to see COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)O)O	362.30	unknown	via CMAUP database
5,7,8,4'-Tetrahydroxy-3,6-dimethoxyflavone	44260054	Click to see COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)O)O	346.30	unknown	via CMAUP database
Axillarin	5281603	Click to see COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O	346.30	unknown	via CMAUP database
Jaceidin	5464461	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)O	360.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
Benthamitin	44259900	Click to see COC1=CC(=C(C=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC)OC)OC	432.40	unknown	via CMAUP database
Casticin	5315263	Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O	374.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 8-O-methylated flavonoids
3',4',5,7-Tetrahydroxy-3,8-dimethoxyflavone	5748553	Click to see COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O)O	346.30	unknown	via CMAUP database
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6,8-trimethoxy-	5386960	Click to see COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)OC)O	360.30	unknown	via CMAUP database
5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone	44260077	Click to see COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC	448.40	unknown	via CMAUP database
5,2'-Dihydroxy-3,6,7,8,4',5'-hexamethoxyflavone	44260086	Click to see COC1=C(C=C(C(=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC)O)OC	434.40	unknown	via CMAUP database
5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone	369954	Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC)O	404.40	unknown	via CMAUP database
5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone	54799	Click to see COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)OC)OC	390.30	unknown	via CMAUP database
5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone	44260074	Click to see COC1=C(C=C(C=C1O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC)O	420.40	unknown	via CMAUP database
5,4'-Dihydroxy-3,6,7,8,3'-pentamethoxyflavone	100625	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC)O	404.40	unknown	via CMAUP database
5,6,3',5'-Tetrahydroxy-3,7,8,4'-tetramethoxyflavone	44260073	Click to see COC1=C(C=C(C=C1O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)O)O)OC)O	406.30	unknown	via CMAUP database
5,7-Dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,6,8-trimethoxy-chromen-4-one	5386959	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC)O	390.30	unknown	via CMAUP database
5,7-Dihydroxy-3,6,8,3',4',5'-hexamethoxyflavone	5386963	Click to see COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC	434.40	unknown	via CMAUP database
5,7,2'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone	5487077	Click to see COC1=C(C=C(C(=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC)O)OC	420.40	unknown	via CMAUP database
5,7,2',4'-Tetrahydroxy-3,6,8,5'-tetramethoxyflavone	21676158	Click to see COC1=C(C=C(C(=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC)O)O	406.30	unknown	via CMAUP database
5,7,2',4'-Tetrahydroxy-3,8,5'-trimethoxyflavone	44260043	Click to see COC1=C(C=C(C(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC)O)O	376.30	unknown	via CMAUP database
5,7,2',4'-Tetrahydroxy-8,5'-dimethoxyflavone	44258626	Click to see COC1=C(C=C(C(=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC)O)O	346.30	unknown	via CMAUP database
5,7,2',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone	44260085	Click to see COC1=C(C=C(C(=C1)O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC)O	406.30	unknown	via CMAUP database
5,7,3'-Trihydroxy-3,6,8,4'-Tetramethoxyflavone	21599528	Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC)O	390.30	unknown	via CMAUP database
5,7,3'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone	5352085	Click to see COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC	420.40	unknown	via CMAUP database
5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone	5386962	Click to see COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)OC)O	376.30	unknown	via CMAUP database
5,7,3',4'-Tetrahydroxy-3,6,8,5'-tetramethoxyflavone	44260072	Click to see COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC	406.30	unknown	via CMAUP database
5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone	11383767	Click to see COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C(=C3)O)O)O)OC)OC)O	392.30	unknown	via CMAUP database
5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone	44260071	Click to see COC1=C(C=C(C=C1O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC)O	406.30	unknown	via CMAUP database
5,7,4'-Trihydroxy-3,6,8,3',5'-pentamethoxyflavone	21676159	Click to see COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC	420.40	unknown	via CMAUP database
5,7,4'-Trihydroxy-3,8-dimethoxyflavone	13983738	Click to see COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)O	330.29	unknown	via CMAUP database
Agecorynin D	14162688	Click to see COC1=C(C=C(C(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O)O	390.30	unknown	via CMAUP database
Calycopterin	10429470	Click to see COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)OC)OC	374.30	unknown	via CMAUP database
Conyzatin	13916282	Click to see COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC	404.40	unknown	via CMAUP database
Digicitrin	10071564	Click to see COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC	434.40	unknown	via CMAUP database
Gossypetin 3,8,3'-trimethyl ether	5386961	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC)O	360.30	unknown	via CMAUP database
Hibiscetin 3,8,4'-trimethyl ether	44260037	Click to see COC1=C(C=C(C=C1O)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC)O	376.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Coumestans
1,3-Dihydroxy-8,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one	11602329	Click to see COC1=C(C=C2C(=C1)C3=C(O2)C4=C(C=C(C=C4OC3=O)O)O)OC	328.27	unknown	https://doi.org/10.1002/ARDP.19382760606
> 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/10.1055/S-2006-960012
> Phenylpropanoids and polyketides / Neoflavonoids / Neoflavans
(4R)-7-hydroxy-4-(4-hydroxyphenyl)-6-(4-methoxy-6-oxopyran-2-yl)-5-methyl-3,4-dihydrochromen-2-one	44407909	Click to see CC1=C(C(=CC2=C1C(CC(=O)O2)C3=CC=C(C=C3)O)O)C4=CC(=CC(=O)O4)OC	394.40	unknown	https://doi.org/10.1016/J.BMCL.2005.10.096
> 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
> Phenylpropanoids and polyketides / Phenylpropanoic acids
3-(4-Hydroxyphenyl)propionic acid	10394	Click to see C1=CC(=CC=C1CCC(=O)O)O	166.17	unknown	via CMAUP database
3-Phenylpropionic acid	107	Click to see C1=CC=C(C=C1)CCC(=O)O	150.17	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Stilbenes
Phenol, (Z)-	5469252	Click to see COC1=CC=CC(=C1)C=CC2=CC=C(C=C2)O	226.27	unknown	via CMAUP database

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Aloe vera

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