Database	ID/link to page
World Flora Online	wfo-0000758850
UNII	053IJC048X
Tropicos	18402428
KEW	urn:lsid:ipni.org:names:529914-1
The Plant List	kew-297998
Open Tree Of Life	448703
NCBI Taxonomy	992642
IPNI	529914-1
iNaturalist	468145
GBIF	2777273
EPPO	ALFSP
EOL	1085555
USDA GRIN	423719
CMAUP	NPO2837

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

Operational definition of complementary, alternative, and integrative medicine derived from a systematic search

Ng JY, Dhawan T, Dogadova E, Taghi-Zada Z, Vacca A, Wieland LS, Moher D

BMC Complement Med Ther

12-Apr-2022

PMCID:	PMC9006507
doi:	10.1186/s12906-022-03556-7
PMID:	35413882

Anticoccidial Activity of Aloe debrana and Aloe pulcherrima Leaf Gel against Eimeria Oocysts

Desalegn AY, Ahmed MR

J Parasitol Res

28-May-2020

PMCID:	PMC7275207
doi:	10.1155/2020/8524973
PMID:	32550018

Aloe vera (L.) Webb.: Natural Sources of Antioxidants – A Review

Hęś M, Dziedzic K, Górecka D, Jędrusek-Golińska A, Gujska E

Plant Foods Hum Nutr

18-Jun-2019

PMCID:	PMC6684795
doi:	10.1007/s11130-019-00747-5
PMID:	31209704

Beneficial Effects of the Genus Aloe on Wound Healing, Cell Proliferation, and Differentiation of Epidermal Keratinocytes

Moriyama M, Moriyama H, Uda J, Kubo H, Nakajima Y, Goto A, Akaki J, Yoshida I, Matsuoka N, Hayakawa T

PLoS One

13-Oct-2016

PMCID:	PMC5063354
doi:	10.1371/journal.pone.0164799
PMID:	27736988

Risks and Benefits of Commonly used Herbal Medicines in México

Rodriguez-Fragoso L, Reyes-Esparza J, Burchiel S, Herrera-Ruiz D, Torres E

Toxicol Appl Pharmacol

12-Oct-2007

PMCID:	PMC2322858
doi:	10.1016/j.taap.2007.10.005
PMID:	18037151

Nuclear DNA Amounts in Angiosperms: Progress, Problems and Prospects

BENNETT MD, LEITCH IJ

Ann Bot

01-Jan-2005

PMCID:	PMC4246708
doi:	10.1093/aob/mci003
PMID:	15596457

Phytochemical Profile Top

Add a new one!

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

Name	PubChem ID	Canonical SMILES	MW	Found in	Proof
> Benzenoids / Anthracenes
(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
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	via CMAUP database
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 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	via CMAUP database
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	via CMAUP database
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	via CMAUP database
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	via CMAUP database
8-O-Methyl-7-hydroxyaloin B	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	via CMAUP database
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	via CMAUP database
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	via CMAUP database
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	via CMAUP database
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	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	via CMAUP database
Microdontin A	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
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
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
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	via CMAUP database
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
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
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 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
> 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 / 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
> 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)-9,10-dideuteriooctadec-9-enoic acid	13011408	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	284.50	unknown	via CMAUP database
(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
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
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	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
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
(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
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
Butyrate	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
Pentacosanoic acid	10468	Click to see CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	382.70	unknown	via CMAUP database
Tetracosanoic acid	11197	Click to see CCCCCCCCCCCCCCCCCCCCCCCC(=O)O	368.60	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 / 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
(+)-Camphor	9543187	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
cis-Thujone	249286	Click to see CC1C2CC2(CC1=O)C(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
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 / Steroids and steroid derivatives / Cholestane steroids / Cholesterols and derivatives
Dihydrocholesterol	6665	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C	388.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
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 / Stigmastanes and derivatives
(-)-beta-Sitosterol	6432744	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	86821	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
Beta-Sitosterol	222284	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
Stigmasterol	5280794	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	via CMAUP database
> 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
[3H]L-aspartic acid	44367445	Click to see C(C(C(=O)O)[NH3+])C(=O)[O-]	133.10	unknown	via CMAUP database
2-Azaniumyl-4-hydroxy-4-oxobutanoate	57397078	Click to see C(C(C(=O)[O-])[NH3+])C(=O)O	133.10	unknown	via CMAUP database
D-Aspartic acid	83887	Click to see C(C(C(=O)O)N)C(=O)O	133.10	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / 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
> 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-Hydroxybutanoic 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
L-Lactic acid	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
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
Pentane-2,3-diol	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
(+)-2-Methyl-1-butanol	637572	Click to see CCC(C)CO	88.15	unknown	via CMAUP database
(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-1,3-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
alpha-D-Glucopyranoside, beta-D-fructofuranosyl	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
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,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	via CMAUP database
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	via CMAUP database
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
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	via CMAUP database
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	via CMAUP database
Aloenin-2'-p-coumaroyl ester	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
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	via CMAUP database
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	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	via CMAUP database
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	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides
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
D-Glucose	5793	Click to see C(C1C(C(C(C(O1)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
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
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
> 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-ribonic acid	5460677	Click to see C(C(C(C(C(=O)O)O)O)O)O	166.13	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
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives / Glucuronic acid derivatives
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-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-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
4,6-Dimethylheptan-2-one	89180	Click to see CC(C)CC(C)CC(=O)C	142.24	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
> 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 / Benzopyrans / 1-benzopyrans
Bisbenzopyran	101245403	Click to see C1C(COC2=CC=CC=C21)C3CC4=CC=CC=C4OC3	266.30	unknown	via CMAUP database
> 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 / 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 / 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
Kaempferol	5280863	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O	286.24	unknown	via CMAUP database
Quercetin	5280343	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	302.23	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
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 / 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 spicata

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