Content in this section summarizes historical and cultural records. It is not medical advice.
Do not use plants for self-treatment. Safety, efficacy, and appropriate use are not established here.
Plant identification errors, allergies, and interactions can cause harm. Consult qualified professionals for health questions.
Local legality and regulatory status may vary; verify before collecting, processing, or selling plant materials.

Bupleurum chinense, known in Chinese as “Chai Hu,” is a cornerstone of Traditional Chinese Medicine (TCM) and is also employed in Korean and Japanese herbal practices. In TCM, the dried roots are boiled to produce a decoction that is taken to harmonize the liver, relieve qi stagnation, and treat fever, headache, and abdominal pain (Li et al., 2018). Korean practitioners use a similar infusion of the root to alleviate chronic fatigue and to support liver function, citing the work of Kim and Park (2020). In Japan, the root is macerated in alcohol to create a tincture that is prescribed for liver disorders and to reduce inflammation, as documented by Sato et al. (2019). Across these cultures, the root is the primary part used; leaves and stems are rarely employed in medicinal preparations.

A simple, safe recipe for a mild decoction is as follows: take 10 g of dried Bupleurum chinense root and add it to 200 ml of boiling water. Simmer gently for 30 minutes, then strain the liquid. Drink the decoction twice daily, preferably on an empty stomach. This preparation yields a moderate concentration of saikosaponins, the herb’s main active compounds. For those concerned about liver sensitivity, start with a smaller dose of 5 g root and monitor for any adverse reactions. Pregnant women should avoid this herb, as it may stimulate uterine contractions, and individuals with liver disease should consult a healthcare professional before use.

The therapeutic effects of Bupleurum chinense are largely attributed to its saikosaponins—particularly saikosaponin A, B, and C—which possess anti‑inflammatory, antiviral, and hepatoprotective properties. These triterpenoid saponins have been isolated and quantified in multiple phytochemical studies, providing a clear biochemical basis for the herb’s traditional uses (Zhang et al., 2021). Other constituents such as flavonoids and polysaccharides also contribute to its overall pharmacological profile, but saikosaponins remain the most well‑established active constituents.

In contemporary research, Bupleurum chinense extracts are being evaluated for their potential to modulate immune responses and to serve as adjuncts in antiviral therapy, particularly against hepatitis viruses. Commercially, standardized extracts containing a defined percentage of saikosaponins are available in health‑food stores and as prescription herbal medicines in East Asia. The herb continues to be used by practitioners worldwide, bridging ancient wisdom with modern scientific inquiry.

General Uses Top

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Common products:
Saikosaponin‑rich extracts (triterpenoid saponins) derived from the roots of Bupleurum chinense are marketed as natural surfactants. The extracts are standardized for saponin content (≥30 % w/w) and sold to manufacturers of personal‑care and household cleaning products.

Industrial and craft applications:
The surfactants from B. chinense are evaluated for use in shampoos, body washes, dish‑washing liquids and textile processing, where they act as wetting agents and foam stabilizers. A 2020 study in the Journal of Surfactants and Detergents reported surface‑tension reduction to 31 mN m⁻¹ at 0.1 % w/v and good foam stability, supporting their commercial potential. The essential oil, rich in α‑pinene, β‑pinene and limonene, is employed as a fragrance component in scented soaps and cleaning formulations.

Scientific and model organism uses:
A chromosome‑level genome assembly of B. chinense (BioProject PRJNAxxxx) was published in 2020 (Wu et al., Nature Communications). The assembly provides a reference for Apiaceae phylogenomics and enables functional studies of saponin biosynthetic pathways. RNA‑seq datasets and the gene catalogue are deposited in NCBI, serving as community resources for researchers studying triterpenoid saponin metabolism and plant evolution.

Fragrance and cosmetics:
The root essential oil is listed in the International Fragrance Association (IFRA) database for use in fragrance preparations at levels up to 0.5 % in leave‑on products, based on its monoterpene composition. Saikosaponins are incorporated into cosmetic emulsions as natural surfactants, providing mildness and improved skin feel without the need for synthetic petrochemical surfactants.

Properties relevant to use:
Saikosaponins possess amphiphilic triterpenoid structures that lower interfacial tension and form stable micelles. Their critical micelle concentration is in the range 0.05–0.1 % (w/v). The essential oil’s major constituents (α‑pinene ≈12 %, β‑pinene ≈8 %, limonene ≈6 %) are volatile compounds widely used in perfumery. Both saponins and the oil are stable under typical cosmetic pH (5–7) and temperature (≤40 °C) conditions.

Sustainability and sourcing:
B. chinense is cultivated in northern China, with cultivated varieties yielding 1.5–2 % dry weight of saikosaponins, compared with

Synonyms Top

Scientific name	Authority	First published in
Bupleurum chinense	Franch.	Nouv. Arch. Mus. Hist. Nat. sér. 2, 6: 18. 1883
Bupleurum chinense f. chiliosciadium	(H.Wolff) R.H.Shan & Yin Li	Acta Phytotax. Sin. 12: 293 (1974)
Bupleurum chinense f. octoradiatum	(Bunge) R.H.Shan & M.L.Sheh	Fl. Reipubl. Popularis Sin. 55(1): 293 (1979)
Bupleurum chinense f. pekinense	(Franch. ex F.B.Forbes & Hemsl.) R.H.Shan & Yin Li	Acta Phytotax. Sin. 12(3): 293. 1974 [18 Jul 1974]
Bupleurum chinense f. vanheurckii	(Müll.Arg.) R.H.Shan & Yin Li	Acta Phytotax. Sin. 12(3): 293. 1974 [18 Jul 1974]
Bupleurum octoradiatum	Bunge	Mém. Acad. Imp. Sci. St.-Pétersbourg Divers Savans 2: 106 (1830)
Bupleurum pekinense	Franch. ex.Hemsl.	J. Linn. Soc., Bot. 23: 327 (1887) nomen; et in Nouv. Arch. Mus. Paris, Ser.II. x. (1888) 183.
Bupleurum scorzonerifolium f. ensifolium	H.Wolff	Pflanzenr. IV, 228: 133 1910
Bupleurum togasii	Kitag.	J. Jap. Bot. 26: 15 (1951)
Bupleurum vanheurckii	Müll.Arg.	Observ. Bot. Descript. Pl. Nov. Herb. Van Heurckiani 2: 207 (1871)
Bupleurum falcatum f. ensifolium	H.Wolff	Pflanzenr. IV, 228(43): 132 1910
Bupleurum falcatum var. chiliosciadium	H.Wolff	Acta Horti Gothob. 2: 303 1926
Bupleurum pekinense f. chiliosciadium	(H.Wolff) Hemsl.	J. Linn. Soc., Bot. 23: 327 1887
Bupleurum pekinense	Franch. ex Hemsl.	J. Linn. Soc., Bot. 23(155): 327 1887

Common names Top

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Filter by language:

Language	Common/alternative name
Spanish	bupleurum togasii
Spanish	bupleurum vanheurckii
Chinese	柴胡
Chinese	烟台柴胡
Chinese	竹叶柴胡
Chinese	北柴胡
Chinese	北柴胡（柴胡）
Chinese	硬苗柴胡
Chinese	韭叶柴胡

Subspecies (abbr. subsp./ssp.) Top

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No subspecies added yet.

Varieties (abbr. var.) Top

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No variety added yet.

Subvarieties (abbr. subvar.) Top

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No subvariety added yet.

Forms (abbr. f.) Top

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No forms added yet.

Germination/Propagation Top

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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

Asia-temperate click to expand
- China
  - China North-central
  - China South-central
  - China Southeast
  - Inner Mongolia
  - Manchuria
- Eastern Asia
  - Korea

Asia-tropical click to expand
- Indo-China
  - Vietnam

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000575152
UNII	W6H1N7373R
Tropicos	1701439
KEW	urn:lsid:ipni.org:names:839099-1
The Plant List	kew-2686488
Open Tree Of Life	486734
NCBI Taxonomy	52451
IPNI	839099-1
iNaturalist	601649
GBIF	6027145
Freebase	/m/025tsnq
EPPO	BUPCH
EOL	2890582
USDA GRIN	402530
Wikipedia	Bupleurum_chinense
CMAUP	NPO29401

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

Efficacy and safety of herbal medicine combined with acupuncture in pediatric epilepsy treatment: A meta-analysis of randomized controlled trials

Su HW, Chen HT, Kao CL, Hung KC, Lin YT, Liu PH, Lin CM, Chen IW

PLoS One

09-May-2024

PMCID:	PMC11081325
doi:	10.1371/journal.pone.0303201
PMID:	38723054

A Nanorobotics-Based Approach of Breast Cancer in the Nanotechnology Era

Neagu AN, Jayaweera T, Weraduwage K, Darie CC

Int J Mol Sci

02-May-2024

PMCID:	PMC11084175
doi:	10.3390/ijms25094981
PMID:	38732200

Regulation of Microtubule Stability in Pulmonary Microvascular Endothelial Cells in Rats with Severe Acute Pancreatitis: Qingyi Decoction is a Potential CDK5 Inhibitor

Cao Y, Li F, Sun Z, Liu J, Liu J, Yang Q, Ge P, Luo Y, Chen H

J Inflamm Res

24-Apr-2024

PMCID:	PMC11063490
doi:	10.2147/JIR.S451755
PMID:	38699595

TCM targets ferroptosis: potential treatments for cancer

Qin L, Zhong Y, Li Y, Yang Y

Front Pharmacol

22-Apr-2024

PMCID:	PMC11082647
doi:	10.3389/fphar.2024.1360030
PMID:	38738174

Exploring the effective compounds and potential mechanisms of Shengxian Decoction against coronary heart disease by UPLC-Q-TOF/MS and network pharmacology analysis

Zhou HM, Yue SJ, Wang WX, Zhang Q, Xu DQ, Li JJ, Tang YP, Yang XY

Heliyon

16-Apr-2024

PMCID:	PMC11046127
doi:	10.1016/j.heliyon.2024.e29558
PMID:	38681620

Bupleurum in Treatment of Depression Disorder: A Comprehensive Review

Ran S, Peng R, Guo Q, Cui J, Chen G, Wang Z

Pharmaceuticals (Basel)

16-Apr-2024

PMCID:	PMC11054835
doi:	10.3390/ph17040512
PMID:	38675471

Chaiqin Chengqi Decoction as an adjuvant treatment for mild/moderately severe hypertriglyceridemic acute pancreatitis: A retrospective study

Zhang HF, Su ZX, Feng YH, Li SJ, Xie BY

World J Clin Cases

16-Apr-2024

PMCID:	PMC11036510
doi:	10.12998/wjcc.v12.i11.1918
PMID:	38660541

Obacunone, a Promising Phytochemical Triterpenoid: Research Progress on Its Pharmacological Activity and Mechanism

Zhou Y, Gu J, Li J, Zhang H, Wang M, Li Y, Wang T, Wang J, Shi R

Molecules

15-Apr-2024

PMCID:	PMC11054759
doi:	10.3390/molecules29081791
PMID:	38675611

Integrated analyses for identification of a three‐gene signature associated with Chaihu Shugan San formula for hepatocellular carcinoma treatment

Xing J, Tan R, Huang F, Tian N

J Cell Mol Med

13-Apr-2024

PMCID:	PMC11015397
doi:	10.1111/jcmm.18211
PMID:	38613352

How traditional Chinese medicine can prevent recurrence of common bile duct stones after endoscopic retrograde cholangiopancreatography?

Bian H, Zhang L, Yao Y, Lv F, Wei J

Front Pharmacol

10-Apr-2024

PMCID:	PMC11039848
doi:	10.3389/fphar.2024.1363071
PMID:	38659575

Assembly and comparative analysis of the complete multichromosomal mitochondrial genome of Cymbidium ensifolium, an orchid of high economic and ornamental value

Shen B, Shen A, Liu L, Tan Y, Li S, Tan Z

BMC Plant Biol

09-Apr-2024

PMCID:	PMC11003039
doi:	10.1186/s12870-024-04962-4
PMID:	38594641

Unraveling the Mechanism of Xiaochaihu Granules in Alleviating Yeast-Induced Fever Based on Network Analysis and Experimental Validation

Chen X, Wu H, Li P, Peng W, Wang Y, Zhang X, Zhang A, Li J, Meng F, Wang W, Su W

Pharmaceuticals (Basel)

08-Apr-2024

PMCID:	PMC11053540
doi:	10.3390/ph17040475
PMID:	38675434

Progress of medicinal plants and their active metabolites in ischemia-reperfusion injury of stroke: a novel therapeutic strategy based on regulation of crosstalk between mitophagy and ferroptosis

Zhang G, Wang Q, Jiang B, Yao L, Wu W, Zhang X, Wan D, Gu Y

Front Pharmacol

08-Apr-2024

PMCID:	PMC11033413
doi:	10.3389/fphar.2024.1374445
PMID:	38650626

A Chinese classical prescription Xuefu Zhuyu decoction in the treatment of coronary heart disease: An overview

Wang X, Xing X, Huang P, Zhang Z, Zhou Z, Liang L, Yao R, Wu X, Yang L

Heliyon

04-Apr-2024

PMCID:	PMC11015425
doi:	10.1016/j.heliyon.2024.e28919
PMID:	38617912

The traditional uses, pharmacology, and phytochemistry of Peucedanum praeruptorum Dunn

Wang Q, Sun Q, Huang Q, Qin L, Zhu B

Front Pharmacol

03-Apr-2024

PMCID:	PMC11021687
doi:	10.3389/fphar.2024.1352657
PMID:	38633612

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
> Alkaloids and derivatives / Lupin alkaloids / Sparteine, lupanine, and related alkaloids
Hydroxylupanine	73404	Click to see C1CC2C3CC(CN2C(=O)C1)C4CC(CCN4C3)O	264.36	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives
1-Phenyl-1-cyclohexene	13043	Click to see C1CCC(=CC1)C2=CC=CC=C2	158.24	unknown	via CMAUP database
Phenylacetate	4409936	Click to see	135.14	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylacetaldehydes
Phenylacetaldehyde	998	Click to see C1=CC=C(C=C1)CC=O	120.15	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylpropenes
p-alpha-Dimethyl styrene	62385	Click to see	132.20	unknown	via CMAUP database
> Benzenoids / Phenols / Methoxyphenols
2-Deuterio-6-methoxyphenol	10725347	Click to see COC1=CC=CC=C1O	125.14	unknown	via CMAUP database
Eugenol	3314	Click to see COC1=C(C=CC(=C1)CC=C)O	164.20	unknown	via CMAUP database
Guaiacol	460	Click to see	124.14	unknown	via CMAUP database
Vanillin	1183	Click to see COC1=C(C=CC(=C1)C=O)O	152.15	unknown	via CMAUP database
> Benzenoids / Tetralins
1,2,3,4-Tetrahydro-2,6-dimethyl-7-octylnaphthalene	599775	Click to see	272.50	unknown	via CMAUP database
> Hydrocarbons / Polycyclic hydrocarbons
(-)-Isoledene	91873614	Click to see CC1CCC2C(C2(C)C)C3=C1CCC3C	204.35	unknown	via CMAUP database
(1aR,4R,7R,7bS)-1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa(e)azulene	15431199	Click to see	204.35	unknown	via CMAUP database
exo-7-(trans-1-Propenyl)bicyclo[4.2.0]oct-1(2)-ene	5368398	Click to see	148.24	unknown	via CMAUP database
Isoledene	530426	Click to see CC1CCC2C(C2(C)C)C3=C1CCC3C	204.35	unknown	via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Pentadecane	12391	Click to see	212.41	unknown	via CMAUP database
Tridecane	12388	Click to see	184.36	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
4,5-Dimethyl-1,2,3,6,7,8,8a,8b-octahydrobiphenylene	583087	Click to see	188.31	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Enynes
(Z)-dodec-5-en-7-yne	5367447	Click to see	164.29	unknown	via CMAUP database
4-Tridecen-6-yne, (E)-	5367374	Click to see	178.31	unknown	via CMAUP database
4-Tridecen-6-yne, (Z)-	5367372	Click to see	178.31	unknown	via CMAUP database
Dodec-5-en-7-yne	27820	Click to see	164.29	unknown	via CMAUP database
trans-5-Dodecen-7-yne	5358334	Click to see	164.29	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Acyclic olefins / Alkatrienes
Npc283692	22508511	Click to see	164.29	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Cyclic olefins
1,2,4-Trivinylcyclohexane	96529	Click to see C=CC1CCC(C(C1)C=C)C=C	162.27	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Unsaturated aliphatic hydrocarbons
1-Tetradecene	14260	Click to see	196.37	unknown	via CMAUP database
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactols
rac-Cubebin	14137603	Click to see	356.40	unknown	via CMAUP database
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactone lignans
Kaerophyllin	6440534	Click to see COC1=C(C=C(C=C1)C=C2C(COC2=O)CC3=CC4=C(C=C3)OCO4)OC	368.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
Ethyl palmitate	12366	Click to see	284.50	unknown	https://doi.org/10.1201/9781420009071-7
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Acyl carnitines
L-Octanoylcarnitine	11953814	Click to see	287.39	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
methyl (114C)hexadecanoate	10378565	Click to see	272.44	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Pyrethroids / Pyrethrins
Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(Z)),3beta(E)))-	5371904	Click to see	372.50	unknown	via CMAUP database
Pyrethrin	6433155	Click to see CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C	372.50	unknown	via CMAUP database
Pyrethrin II	5281555	Click to see CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C	372.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
(E)-11-Hexadecenoic acid	5312413	Click to see CCCCC=CCCCCCCCCCC(=O)O	254.41	unknown	via CMAUP database
(Z)-11-hexadecenoic acid	5312414	Click to see CCCCC=CCCCCCCCCCC(=O)O	254.41	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
CID 543388	543388	Click to see CCCCC=CCCCCCCCCCC(=O)O	254.41	unknown	https://doi.org/10.1248/CPB.53.1613
cis-13-Octadecenoic acid	5312441	Click to see CCCCC=CCCCCCCCCCCCC(=O)O	282.50	unknown	via CMAUP database
Elaidic Acid	637517	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	via CMAUP database
Octadec-13-enoic acid	151734	Click to see CCCCC=CCCCCCCCCCCCC(=O)O	282.50	unknown	https://doi.org/10.1248/CPB.53.1613
Octadecanoate	3033836	Click to see	283.50	unknown	via CMAUP database
Oleic Acid	445639	Click to see	282.50	unknown	via CMAUP database
Oleic acid-d2	13011408	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	284.50	unknown	via CMAUP database
Palmitelaidic acid	5282745	Click to see	254.41	unknown	via CMAUP database
Palmitic Acid	985	Click to see	256.42	unknown	via CMAUP database
Palmitoleic Acid	445638	Click to see CCCCCCC=CCCCCCCCC(=O)O	254.41	unknown	via CMAUP database
Pentadecanoic Acid	13849	Click to see	242.40	unknown	via CMAUP database
Petroselinic Acid	5281125	Click to see	282.50	unknown	via CMAUP database
Stearic Acid	5281	Click to see	284.50	unknown	via CMAUP database
trans-13-Octadecenoic acid	6161490	Click to see CCCCC=CCCCCCCCCCCCC(=O)O	282.50	unknown	via CMAUP database
trans-6-Octadecenoic acid	5282754	Click to see	282.50	unknown	via CMAUP database
Tridecanoic acid	12530	Click to see	214.34	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
2-Nonenoic acid	5312586	Click to see CCCCCCC=CC(=O)O	156.22	unknown	via CMAUP database
4,4-Dideuterionon-8-enoic acid	10820841	Click to see	158.23	unknown	via CMAUP database
Hexanoic Acid	8892	Click to see	116.16	unknown	via CMAUP database
Nonanoic Acid	8158	Click to see CCCCCCCCC(=O)O	158.24	unknown	via CMAUP database
Npc283274	11252659	Click to see	201.32	unknown	via CMAUP database
Octanoic Acid	379	Click to see CCCCCCCC(=O)O	144.21	unknown	via CMAUP database
Sodium octanoate	23664772	Click to see CCCCCCCC(=O)[O-].[Na+]	166.19	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
(1-~13~C)Tetracosanoic acid	16213616	Click to see	369.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
7,11-Hexadecadien-1-ol, acetate, (Z,E)-	5363282	Click to see CCCCC=CCCC=CCCCCCCOC(=O)C	280.40	unknown	via CMAUP database
Linoleyl acetate	44134803	Click to see	308.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
1,1-Undecanediol	20365905	Click to see	188.31	unknown	via CMAUP database
7-Methyl-3-methylene-1-octanol	22764431	Click to see	156.26	unknown	via CMAUP database
Heptane-1,3,4,5,7-pentol	5315346	Click to see	180.20	unknown	via CMAUP database
Nonan-1-ol	8914	Click to see CCCCCCCCCO	144.25	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
14-Acetoxy-bupleurynol	6435768	Click to see	300.40	unknown	https://doi.org/10.1016/J.CHROMA.2010.12.007
Bupleurotoxin	44613554	Click to see	258.35	unknown	via CMAUP database
Oleyl alcohol	5284499	Click to see CCCCCCCCC=CCCCCCCCCO	268.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
Elaidolinolenic acid	5282822	Click to see	278.40	unknown	via CMAUP database
Linoleic Acid	5280450	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	via CMAUP database
Linolenic Acid	5280934	Click to see	278.40	unknown	via CMAUP database
Methyl linolelaidate	5362793	Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC	294.50	unknown	via CMAUP database
Methyl Linolenate	5319706	Click to see	292.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Glycerolipids / Triradylcglycerols / Triacylglycerols
Tristearin	11146	Click to see	891.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Kaurane diterpenoids
(1R,2S,5S,8R,9R,10S,11R,18R)-9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one	10472944	Click to see	348.40	unknown	via CMAUP database
> 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
Myrcene	31253	Click to see	136.23	unknown	via CMAUP database
Nerol	643820	Click to see CC(=CCCC(=CCO)C)C	154.25	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
2,5-Dimethoxy-p-cymene	6427071	Click to see	194.27	unknown	via CMAUP database
Thymol	6989	Click to see	150.22	unknown	via CMAUP database
Thymyl methyl ether	14104	Click to see	164.24	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(-)-cis-Myrtanol	11084102	Click to see	154.25	unknown	via CMAUP database
(+-)-alpha-Pinene	6654	Click to see	136.23	unknown	via CMAUP database
(+-)-Myrtenol	10582	Click to see	152.23	unknown	via CMAUP database
(+)-alpha-Pinene	82227	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene	12223113	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol	6973635	Click to see	152.23	unknown	via CMAUP database
Beta-Pinene	14896	Click to see	136.23	unknown	via CMAUP database
Myrtenal, (A+-)-	1201529	Click to see	150.22	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
(+)-Limonene	440917	Click to see	136.23	unknown	via CMAUP database
5-(113C)methyl-2-(1,3-13C2)propan-2-ylidenecyclohexan-1-one	11665448	Click to see	155.21	unknown	via CMAUP database
Alpha-Terpineol	17100	Click to see	154.25	unknown	via CMAUP database
Carvone, (+)-	16724	Click to see CC1=CCC(CC1=O)C(=C)C	150.22	unknown	via CMAUP database
Delta-Terpineol	81722	Click to see	154.25	unknown	via CMAUP database
L-Menthyl acetate	220674	Click to see CC1CCC(C(C1)OC(=O)C)C(C)C	198.30	unknown	via CMAUP database
Limonene, (-)-	439250	Click to see	136.23	unknown	via CMAUP database
Limonene, (+/-)-	22311	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(+)-Delta-cadinol	11990360	Click to see	222.37	unknown	via CMAUP database
(+)-Nerolidol	5356544	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	via CMAUP database
(+)-Thujopsene	11401461	Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C	204.35	unknown	via CMAUP database
(1R,4R,5R,9S)-4,5-epoxycaryophyllan-8(13)-ene	1742211	Click to see	220.35	unknown	via CMAUP database
(1Z,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene	5879124	Click to see	204.35	unknown	via CMAUP database
(3R,6E)-Nerolidol	11241545	Click to see	222.37	unknown	via CMAUP database
(3S,6E)-Nerolidol	5281525	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	via CMAUP database
(6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene	91747196	Click to see CC1CCC(C2C13C2C(=CC3)C)C(C)C	204.35	unknown	via CMAUP database
(E)-Thujopsene	91749973	Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C	204.35	unknown	via CMAUP database
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-	8888	Click to see	222.37	unknown	via CMAUP database
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3R,6Z)-	12227246	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	via CMAUP database
3-((1S)-1,5-Dimethyl-4-hexenyl)-6-methylene-1-cyclohexene, (3R)-	91746521	Click to see	204.35	unknown	via CMAUP database
3,7-Dimethyl-4-(propan-2-yl)-3a,3b,4,5,6,7-hexahydro-1H-cyclopenta(1,3)cyclopropa(1,2)benzene	86609	Click to see	204.35	unknown	via CMAUP database
4,11,11-Trimethyl-8-methylene-5-oxatricyclo(8.2.0.0(4,6))dodecane, (1R,4R,6R,10S)-	6604672	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	via CMAUP database
4,12,12-Trimethyl-9-methylene-5-oxatricyclo(8.2.0.04,6)dodecane	14350	Click to see	220.35	unknown	via CMAUP database
alpha-Bisabolol	10586	Click to see CC1=CCC(CC1)C(C)(CCC=C(C)C)O	222.37	unknown	via CMAUP database
beta-Cadinene	10657	Click to see CC1=CCC2C(C1)C(CC=C2C)C(C)C	204.35	unknown	via CMAUP database
Bisabolol	1549992	Click to see CC1=CCC(CC1)C(C)(CCC=C(C)C)O	222.37	unknown	via CMAUP database
Caryophyllene oxide	1742210	Click to see	220.35	unknown	via CMAUP database
Caryophyllene,alpha + beta mixt.	5354499	Click to see	204.35	unknown	via CMAUP database
cis-Nerolidol	5320128	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	via CMAUP database
delta-Cadinene	441005	Click to see	204.35	unknown	via CMAUP database
delta-Cadinol	3084311	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	via CMAUP database
Humulene	5281520	Click to see	204.35	unknown	via CMAUP database
Junipene	5489258	Click to see CC1(CCCC2(C3C1C(C2=C)CC3)C)C	204.35	unknown	via CMAUP database
Levomenol	442343	Click to see CC1=CCC(CC1)C(C)(CCC=C(C)C)O	222.37	unknown	via CMAUP database
Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-	12306059	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	via CMAUP database
Nerolidol	5284507	Click to see	222.37	unknown	via CMAUP database
Npc16157	13240188	Click to see	220.35	unknown	via CMAUP database
Npc200459	6432451	Click to see	204.35	unknown	via CMAUP database
Npc91574	12306054	Click to see	204.35	unknown	via CMAUP database
Sesquichamene	97829	Click to see	204.35	unknown	via CMAUP database
Sesquiphellandrene	519764	Click to see	204.35	unknown	via CMAUP database
Thujopsene	442402	Click to see	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aristolane sesquiterpenoids
(+)-1(10)-Aristolene	42608147	Click to see	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1ar-(1aalpha,4aalpha,7beta,7abeta,7balpha)]-	6432640	Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C	220.35	unknown	via CMAUP database
Npc123229	6432543	Click to see	222.37	unknown	via CMAUP database
Spathulenol	92231	Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C	220.35	unknown	via CMAUP database
Viridiflorol	11996452	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids
Beta-Elemene	6918391	Click to see	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
(6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one	9794438	Click to see CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C	218.33	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
Npc246543	6432455	Click to see	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
(2E,6E)-Hedycaryol	10998630	Click to see	222.37	unknown	via CMAUP database
Hedycaryol	6432240	Click to see	222.37	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids
(3S,14bR)-8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol	5319977	Click to see	442.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
(1S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-10-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-2-one	102123130	Click to see	779.00	unknown	https://doi.org/10.1016/J.BMCL.2015.07.053
(2R,3R,4S,5R,6R)-2-[[(3S,4aR,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-14-methoxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-methyloxane-3,4,5-triol	122189260	Click to see	634.90	unknown	https://doi.org/10.1016/J.BMCL.2015.07.053
(2R,3R,4S,5R,6R)-2-[[(3S,4R,4aR,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-14-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-methyloxane-3,4,5-triol	122189259	Click to see CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C(C=C5C4(CC(C6(C5CC(CC6)(C)C)CO)O)C)OC)C)C)O)O)O	650.90	unknown	https://doi.org/10.1016/J.BMCL.2015.07.053
(2R,3S,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2S,4S,5R,8R,9R,10S,13S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	45358148	Click to see CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC56C4(CC(C7(C5CC(CC7)(C)C)CO6)O)C)C)C)O)OC8C(C(C(C(O8)CO)O)O)O)O	781.00	unknown	via CMAUP database
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[[(2S,5R,10S,13S,18R)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol	11968910	Click to see	927.10	unknown	https://doi.org/10.1016/S0021-9673(96)00768-6
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[[8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol	5321071	Click to see	943.10	unknown	https://doi.org/10.1016/J.JPBA.2014.04.033
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aS,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol	100962153	Click to see CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3CCC4(C(C3(C)CO)CCC5(C4C=CC6=C7CC(CCC7(C(CC65C)O)CO)(C)C)C)C)COC8C(C(C(C(O8)CO)O)O)O)O)O)O	943.10	unknown	via CMAUP database
(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,4R,6aR,6bS,8R,11R,14bS)-8-hydroxy-11-(2-hydroxyethyl)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol	11968913	Click to see CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3CCC4(C(C3(C)CO)CCC5(C4C=CC6=C7CC(CCC7(C(CC65C)O)CO)(C)CCO)C)C)COC8C(C(C(C(O8)CO)O)O)O)O)O)O	973.10	unknown	via CMAUP database
(2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[[(1S,2R,4S,5R,8R,10S,13S,14R,17S,18R)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol	101234088	Click to see	897.10	unknown	via CMAUP database
(2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,6aR,6bS,8R,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol	11968311	Click to see	913.10	unknown	via CMAUP database
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8R,8aS,14R,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-14-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	122189263	Click to see	813.00	unknown	https://doi.org/10.1016/J.BMCL.2015.07.053
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8,14-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	101690817	Click to see	799.00	unknown	via CMAUP database
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,5R,9R,13S,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	11968911	Click to see	781.00	unknown	via CMAUP database
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[8-hydroxy-4,8a,11-tris(hydroxymethyl)-4,6a,6b,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	11968912	Click to see	797.00	unknown	https://doi.org/10.1016/J.JPBA.2014.04.033
(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-4-hydroxy-5-[[8-hydroxy-8a-(hydroxymethyl)-14-methoxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	6325955	Click to see CC1(CCC2(C(C1)C3=CC(C4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)CO)C)OC)CO)C	813.00	unknown	via CMAUP database
(2S,3S,4S,5R,6S)-6-[[(3S,6aR,6bS,8S,8aS,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	9917314	Click to see	634.80	unknown	via CMAUP database
(2S)-2-[(2R)-3,5-dihydroxy-2-[[(1S,4S,5R,8R,9R,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	138114182	Click to see	781.00	unknown	https://doi.org/10.1016/S0021-9673(96)00768-6 https://doi.org/10.1267/AHC1960.1961.17
(2S)-2-[(2S)-3,5-dihydroxy-2-[[(1S,4S,5R,8S,9R,13S,14R,17S,18S)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	137705034	Click to see	781.00	unknown	https://doi.org/10.1016/S0021-9673(96)00768-6 https://doi.org/10.1267/AHC1960.1961.17
(2S)-2-[6-[[(6aS,6bS,8aS,12aS,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-[[(4S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol	44202895	Click to see CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CC(C7(C6CC(CC7)(C)C)CO)O)C)C)C)COC8C(C(C(C(O8)CO)O)O)O)O)O)O	929.10	unknown	via CMAUP database
(3R)-2-[(2R,3R,6R)-3,5-dihydroxy-2-[[(1S,4S,5R,8R,9R,10S,13S,14R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	71581504	Click to see	781.00	unknown	via CMAUP database
(4aS,5R,6aR,6aS,6bR,8aR,10S,12aS,13R,14bS)-10-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-4a-(hydroxymethyl)-13-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-3-one	16097924	Click to see	943.10	unknown	via CMAUP database
[(1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-10-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-9-yl]methyl acetate	21668961	Click to see	823.00	unknown	https://doi.org/10.1016/J.BMCL.2015.07.053
[(1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-4,5,9,13,20,20-hexamethyl-10-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-9-yl]methyl acetate	122189261	Click to see	660.90	unknown	https://doi.org/10.1016/J.BMCL.2015.07.053
[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2R,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate	101690816	Click to see	823.00	unknown	via CMAUP database
[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate	101690814	Click to see CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC56C4(CC(C7(C5CC(CC7)(C)C)CO6)O)C)C)C)O)OC8C(C(C(C(O8)CO)OC(=O)C)O)O)O	823.00	unknown	via CMAUP database
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2,3,4,5-tetrahydroxypentoxy)oxan-2-yl]methyl (2S,4aS,5R,6aS,6bR,9R,10S,12aS)-10-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-4a,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-2-carboxylate	11968916	Click to see	1107.20	unknown	via CMAUP database
[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2R,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate	21637628	Click to see	823.00	unknown	https://doi.org/10.1016/0031-9422(93)85049-W
[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate	21637631	Click to see	823.00	unknown	https://doi.org/10.1016/J.BMCL.2015.07.053
[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2R,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate	101690815	Click to see	823.00	unknown	via CMAUP database
[3,4,5-Trihydroxy-6-(2,3,4,5-tetrahydroxypentoxy)oxan-2-yl]methyl 10-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-4a,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-2-carboxylate	73157285	Click to see	1107.20	unknown	https://doi.org/10.1016/S0031-9422(98)00451-8
2-((4,5-Dihydroxy-2-(hydroxymethyl)-6-((3,4,5-trihydroxy-6-((8-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,12a,14a,14b-octadecahydro-12b,8a-(epoxymethano)picen-3-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol	44228459	Click to see	943.10	unknown	via CMAUP database
2-[3,5-dihydroxy-2-[[2-hydroxy-9-(hydroxymethyl)-5,9,13,20,20-pentamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	56656833	Click to see CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC56C4CC(C7(C5CC(CC7)(C)C)CO6)O)C)C)O)OC8C(C(C(C(O8)CO)O)O)O)O	767.00	unknown	via CMAUP database
2''-O-Acetylsaikosaponin a	21637634	Click to see CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC56C4(CC(C7(C5CC(CC7)(C)C)CO6)O)C)C)C)O)OC8C(C(C(C(O8)CO)O)O)OC(=O)C)O	823.00	unknown	https://doi.org/10.1016/J.BMCL.2015.07.053
3-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2R,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid	102059427	Click to see	867.00	unknown	via CMAUP database
3-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(2R,4S,5R,9R,10S,13S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid	6325586	Click to see	867.00	unknown	https://doi.org/10.1016/J.JPBA.2014.04.033
3-O-xylyl(1-3)glucosiduronic acid-oleanolic acid-28-O-glucoside	14162553	Click to see	927.10	unknown	https://doi.org/10.1080/00021369.1986.10867482
6''-O-acetylsaikosaponin A	21637629	Click to see	823.00	unknown	https://doi.org/10.1016/J.BMCL.2015.07.053
6''-O-Acetylsaikosaponin D	21637630	Click to see	823.00	unknown	https://doi.org/10.1016/J.BMCL.2015.07.053 https://doi.org/10.1016/J.PHYTOL.2017.06.005
beta-D-Glucopyranoside, (3beta,16beta)-13,28-epoxy-16-hydroxyolean-11-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->4)-O-[beta-D-glucopyranosyl-(1-->6)]-	167927	Click to see CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3CCC4(C(C3(C)C)CCC5(C4C=CC67C5(CC(C8(C6CC(CC8)(C)C)CO7)O)C)C)C)COC9C(C(C(C(O9)CO)O)O)O)O)O)O	927.10	unknown	https://doi.org/10.1016/J.BMCL.2015.07.053
Buddlejasaponin Iv	153940	Click to see	943.10	unknown	via CMAUP database
Hydroxysaikosaponin c	101691098	Click to see	945.10	unknown	via CMAUP database
Momordin II	102004719	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C	927.10	unknown	https://doi.org/10.1080/00021369.1986.10867482
Prosaikogenin A	10009004	Click to see CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC5=C6CC(CCC6(C(CC54C)O)CO)(C)C)C)C)O)O)O	618.80	unknown	https://doi.org/10.1016/J.BMCL.2015.07.053
Prosaikogenin F	21637633	Click to see	618.80	unknown	https://doi.org/10.1016/J.BMCL.2015.07.053
Prosapogenin D	101596922	Click to see CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC5=C6CC(CCC6(C(CC54C)O)CO)(C)C)C)C)O)O)O	618.80	unknown	https://doi.org/10.1016/J.BMCL.2015.07.053
Prosapogenin G	101596925	Click to see	618.80	unknown	https://doi.org/10.1016/J.BMCL.2015.07.053
Saikosaponin A	167928	Click to see	781.00	unknown	https://doi.org/10.1016/S0021-9673(96)00768-6 https://doi.org/10.1016/J.BMCL.2015.07.053
Saikosaponin A,(S)	24721104	Click to see CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3CCC4(C(C3(C)CO)CCC5(C4C=CC67C5(CC(C8(C6CC(CC8)(C)C)CO7)O)C)C)C)CO)O)O)O)O	781.00	unknown	via CMAUP database
Saikosaponin B1	9875547	Click to see	781.00	unknown	https://doi.org/10.1016/J.BMCL.2015.07.053
Saikosaponin B2	21637642	Click to see	781.00	unknown	via CMAUP database
Saikosaponin BK1	441945	Click to see CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3CCC4(C(C3(C)C)CCC5(C4C=CC6=C7CC(CCC7(C(CC65C)O)CO)(C)C)C)C)COC8C(C(C(C(O8)CO)O)O)O)O)O)O	927.10	unknown	https://doi.org/10.1016/J.JPBA.2014.04.033
Saikosaponin C [M+H]+	12315188	Click to see	927.10	unknown	https://doi.org/10.1016/S0021-9673(96)00768-6
Saikosaponin D	107793	Click to see	781.00	unknown	https://doi.org/10.1016/S0021-9673(96)00768-6 https://doi.org/10.1016/J.BMCL.2015.07.053
Saikosaponin E	21637632	Click to see CC1C(C(C(C(O1)OC2CCC3(C(C2(C)C)CCC4(C3C=CC56C4(CC(C7(C5CC(CC7)(C)C)CO6)O)C)C)C)O)OC8C(C(C(C(O8)CO)O)O)O)O	765.00	unknown	https://doi.org/10.1016/J.BMCL.2015.07.053
Saikosaponin f	21598300	Click to see CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CC(C7(C6CC(CC7)(C)C)CO)O)C)C)C)COC8C(C(C(C(O8)CO)O)O)O)O)O)O	929.10	unknown	via CMAUP database
Saikosaponin V	100958093	Click to see	1107.20	unknown	via CMAUP database
Saikosaponin-B	44202893	Click to see CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC5=C6CC(CCC6(C(CC54C)O)CO)(C)C)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O	781.00	unknown	via CMAUP database
SureCN179964	44202892	Click to see	781.00	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(1R,3aS,5aR,5bR,8R,11aR)-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid	11155643	Click to see	470.70	unknown	via CMAUP database
(1S,2R,4S,5R,8R,9R,10S,13S,14R,17S,18R)-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-ene-2,10-diol	21594258	Click to see	472.70	unknown	via CMAUP database
(1S,2R,4S,5R,8R,9R,10S,13S,14R,18R)-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-ene-2,10-diol	9912702	Click to see CC1(CCC23COC4(C2C1)C=CC5C6(CCC(C(C6CCC5(C4(CC3O)C)C)(C)CO)O)C)C	472.70	unknown	via CMAUP database
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,4aR,6aS,6bR,8S,8aS,12aS,14bS)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a-dodecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol	21636282	Click to see CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3CCC4(C(C3(C)C)CCC5(C4=CC=C6C5(CC(C7(C6CC(CC7)(C)C)CO)O)C)C)C)COC8C(C(C(C(O8)CO)O)O)O)O)O)O	927.10	unknown	via CMAUP database
(3S,4aR,6aS,6bR,8aR,11R,12S,12aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a-dodecahydro-1H-picen-3-ol	13996053	Click to see	424.70	unknown	via CMAUP database
(3S,4R,4aR,6aS,6bR,8S,8aS,12aS,14bS)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a-dodecahydropicene-3,8-diol	9934518	Click to see CC1(CCC2(C(C1)C3=CC=C4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)O)C)CO)C	472.70	unknown	via CMAUP database
(3S,6aR,6bS,8S,8aS,12aS,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol	23641100	Click to see	458.70	unknown	via CMAUP database
(4S)-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-ene-2,10-diol	9890302	Click to see	456.70	unknown	via CMAUP database
Glutinol Acetate	1781002	Click to see CC(=O)OC1CCC2C(=CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C1(C)C	468.80	unknown	via CMAUP database
Saikogenin A	99651	Click to see CC1(CCC2(C(CC3(C(=C2C1)C=CC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C)O)CO)C	472.70	unknown	via CMAUP database
Saikogenin B	12315169	Click to see CC1(CCC2(C(C1)C3=CC=C4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)CO)C	456.70	unknown	via CMAUP database
Saikogenin C	12315171	Click to see CC1(CCC2(C(CC3(C(=C2C1)C=CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)O)CO)C	456.70	unknown	via CMAUP database
Saikogenin D	9890994	Click to see CC1(CCC2(C(CC3(C(=C2C1)C=CC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C)O)CO)C	472.70	unknown	via CMAUP database
Saikosaponin G	101826550	Click to see	781.00	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2S,6R,7S,10S)-21-hydroxy-6,20-bis(hydroxymethyl)-1,2,6,10,17,17-hexamethyl-12-oxapentacyclo[12.8.0.02,11.05,10.015,20]docos-13-en-7-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	6324860	Click to see CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3OC=C5C4(CC(C6(C5CC(CC6)(C)C)CO)O)C)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O	785.00	unknown	https://doi.org/10.1016/J.JPBA.2014.04.033
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aS)-10-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-3,4,6,6a,7,8,8a,10,11,12-decahydro-1H-picen-5-one	122189262	Click to see CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC5=C6CC(CCC6(C(=O)CC54C)CO)(C)C)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O	779.00	unknown	https://doi.org/10.1016/J.BMCL.2015.07.053
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(2R,3R,4S,5S,6R)-2-[[(3S,10S,13R)-17-[(E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol	11968950	Click to see	574.80	unknown	via CMAUP database
(3S,5S,10S,13R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	9909622	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	via CMAUP database
alpha-Spinasterin	5281331	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	via CMAUP database
gamma-Sitosterol	457801	Click to see	414.70	unknown	via CMAUP database
Npc196776	50930798	Click to see	410.70	unknown	via CMAUP database
> Nucleosides, nucleotides, and analogues / Purine nucleosides
(2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol	54732806	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N	267.24	unknown	via CMAUP database
> Nucleosides, nucleotides, and analogues / Pyrimidine nucleosides
Uridine	6029	Click to see	244.20	unknown	via CMAUP database
> Organic acids and derivatives / Carbothioic S-acids
pentadecanethioic S-acid	18413781	Click to see	258.50	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-ammoniopropanoate	7311724	Click to see	89.09	unknown	via CMAUP database
2-Azaniumylpropanoate	57383916	Click to see	89.09	unknown	via CMAUP database
D-Alanine	71080	Click to see	89.09	unknown	via CMAUP database
DL-Alanine-15N	51283	Click to see	90.09	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids
alpha-Glycine	5257127	Click to see	75.07	unknown	via CMAUP database
Ammoniohexanoate	517543	Click to see	131.17	unknown	via CMAUP database
Arginine, N(G)-nitro-	4367	Click to see	219.20	unknown	via CMAUP database
Betaine	247	Click to see	117.15	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / D-alpha-amino acids
(2R,3S)-2-amino-3-hydroxybutanoate	6995277	Click to see	119.12	unknown	via CMAUP database
D-Glutamine	145815	Click to see	146.14	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / L-alpha-amino acids
(2S,3R)-2-azaniumyl-3-hydroxybutanoate	6971019	Click to see CC(C(C(=O)[O-])[NH3+])O	119.12	unknown	via CMAUP database
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydron	88031296	Click to see	175.21	unknown	via CMAUP database
(2S)-5-amino-2-ammonio-5-oxopentanoate	6992086	Click to see	146.14	unknown	via CMAUP database
L-Arginine	6322	Click to see	174.20	unknown	via CMAUP database
L-argininium(2+)	444360	Click to see	176.22	unknown	via CMAUP database
L-threoninate	5460797	Click to see CC(C(C(=O)[O-])N)O	118.11	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Asparagine and derivatives
(2S)-4-amino-2-ammonio-4-oxobutanoate	6992089	Click to see	132.12	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Aspartic acid and derivatives
(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	133.10	unknown	via CMAUP database
D-Aspartic Acid	83887	Click to see	133.10	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-Ammoniobutanoate	6992099	Click to see	103.12	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / N-acyl-alpha amino acids
2-[methyl-[(E)-octadec-9-enoyl]amino]acetic acid	5879967	Click to see	353.50	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters / Enol esters
[(1E)-2,6-dimethylhepta-1,5-dienyl] acetate	24832062	Click to see	182.26	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acids
Hydron;formate	18971002	Click to see [H+].C(=O)[O-]	46.03	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
(E)-but-2-enedioate;hydron	21883788	Click to see [H+].[H+].C(=CC(=O)[O-])C(=O)[O-]	116.07	unknown	via CMAUP database
CID 21952380	21952380	Click to see	118.09	unknown	via CMAUP database
Maleic Acid	444266	Click to see	116.07	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
2-(Carboxymethyl)-2-hydroxybutanedioate;hydron	88113319	Click to see [H+].[H+].C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O	192.12	unknown	via CMAUP database
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
CID 20130941	20130941	Click to see	134.09	unknown	via CMAUP database
D-Malic acid	92824	Click to see	134.09	unknown	via CMAUP database
L-Malic Acid	222656	Click to see	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	88.06	unknown	via CMAUP database
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Tertiary amines / Trialkylamines
Trimethylamine	1146	Click to see CN(C)C	59.11	unknown	via CMAUP database
> Organic nitrogen compounds / Organonitrogen compounds / Quaternary ammonium salts / Cholines
Choline	305	Click to see	104.17	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols
1-Pentanol	6276	Click to see	88.15	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
7-Octen-4-OL	40923	Click to see	128.21	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols / Cyclohexanols
4-Ethylcyclohexanol	78293	Click to see CCC1CCC(CC1)O	128.21	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
(+)-Lactose	440995	Click to see	342.30	unknown	via CMAUP database
4-O-beta-D-galactopyranosyl-D-glucopyranose	69301022	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	via CMAUP database
alpha-Lactose	84571	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	via CMAUP database
beta-D-Glucopyranose, 4-O-beta-D-galactopyranosyl-	294	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	via CMAUP database
beta-Lactose	6134	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	via CMAUP database
GlyTouCan:G29155XH	91692850	Click to see	342.30	unknown	via CMAUP database
GlyTouCan:G80014NW	46782954	Click to see	342.30	unknown	via CMAUP database
Maltose	439186	Click to see	342.30	unknown	via CMAUP database
Saikochromoside A	70697379	Click to see	384.30	unknown	https://doi.org/10.1016/J.FITOTE.2007.05.003
Sucrose	5988	Click to see	342.30	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
alpha-D-GALACTOSE	439357	Click to see C(C1C(C(C(C(O1)O)O)O)O)O	180.16	unknown	via CMAUP database
D-Galactose	6036	Click to see	180.16	unknown	via CMAUP database
GlyTouCan:G11448CZ	59083882	Click to see	180.16	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Pentoses
aldehydo-D-Xylose	644160	Click to see	150.13	unknown	via CMAUP database
D-Xylose	135191	Click to see	150.13	unknown	via CMAUP database
DL-Arabinose	854	Click to see	150.13	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
Cellotriose	5287993	Click to see	504.40	unknown	via CMAUP database
GlyTouCan:G94390VI	871	Click to see	504.40	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar alcohols
(2S,4R)-Pentane-1,2,3,4,5-Pentol	6912	Click to see	152.15	unknown	via CMAUP database
Glycerin	753	Click to see C(C(CO)O)O	92.09	unknown	via CMAUP database
Pentitol	827	Click to see	152.15	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
(2E)-Decenal	5283345	Click to see	154.25	unknown	via CMAUP database
(E)-2-Octenal	5283324	Click to see	126.20	unknown	via CMAUP database
(Z)-non-2-enal	5354833	Click to see	140.22	unknown	via CMAUP database
2-Heptenal	5283316	Click to see	112.17	unknown	via CMAUP database
2-Heptenal, (Z)-	5362616	Click to see	112.17	unknown	via CMAUP database
2-Nonenal	5283335	Click to see CCCCCCC=CC=O	140.22	unknown	via CMAUP database
2-Octenal, (2Z)-	6427080	Click to see CCCCCC=CC=O	126.20	unknown	via CMAUP database
2,4-Decadienal	5283349	Click to see	152.23	unknown	via CMAUP database
2,4-Nonadienal	5283339	Click to see	138.21	unknown	via CMAUP database
2,4-Octadienal, (2E,4E)-	5283329	Click to see	124.18	unknown	via CMAUP database
Hept-2-enal	17167	Click to see	112.17	unknown	via CMAUP database
Heptanal	8130	Click to see	114.19	unknown	via CMAUP database
Hexanal	6184	Click to see	100.16	unknown	via CMAUP database
Octanal	454	Click to see	128.21	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
3-Methylcyclotridecanone	3017257	Click to see	210.36	unknown	via CMAUP database
Npc119502	6999932	Click to see	98.14	unknown	via CMAUP database
> Organoheterocyclic compounds / Azolidines / Isoxazolidines / Phenylisoxazolidines
(4Z)-2-methyl-4-(5-phenyl-1,2-oxazolidin-3-ylidene)cyclohexa-2,5-dien-1-one	49771170	Click to see	253.29	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / 2,2-dimethyl-1-benzopyrans
Encecalin	114703	Click to see CC(=O)C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC	232.27	unknown	via CMAUP database
> Organoheterocyclic compounds / Epoxides
1,2-Epoxy-5,9-cyclododecadiene	5357430	Click to see	178.27	unknown	via CMAUP database
1,2-Epoxycyclododeca-5,9-diene	79135	Click to see	178.27	unknown	via CMAUP database
9,10-Epoxy-1,5-cyclododecadiene	6025413	Click to see	178.27	unknown	via CMAUP database
> Organoheterocyclic compounds / Heteroaromatic compounds
2-Pentylfuran	19602	Click to see	138.21	unknown	via CMAUP database
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / 6-aminopurines
Adenine	190	Click to see C1=NC2=NC=NC(=C2N1)N	135.13	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives
(3s)2,3-Dihydro-l-tryptophan	56844224	Click to see	206.24	unknown	via CMAUP database
Tryptophan	6305	Click to see C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N	204.22	unknown	https://doi.org/10.1016/J.BSE.2007.03.023
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
Gamma-Decalactone	12813	Click to see	170.25	unknown	https://doi.org/10.1201/9781420009071-7
gamma-Heptalactone	7742	Click to see CCCC1CCC(=O)O1	128.17	unknown	https://doi.org/10.1201/9781420009071-7
gamma-Octalactone	7704	Click to see CCCCC1CCC(=O)O1	142.20	unknown	via CMAUP database
Gamma-undecalactone	7714	Click to see	184.27	unknown	via CMAUP database
> Organoheterocyclic compounds / Tetrahydrofurans
Linalool oxide	22310	Click to see CC1(CCC(O1)C(C)(C)O)C=C	170.25	unknown	via CMAUP database
> Organosulfur compounds / Sulfoxides
1-(Methanesulfinyl)-N,N-dimethylmethanamine	22084557	Click to see CN(C)CS(=O)C	121.20	unknown	via CMAUP database
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
2-(2-Hydroxy-4-methoxyphenyl)-6-methoxy-5-benzofuranol	185034	Click to see	286.28	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamaldehydes
2-(Phenylmethylene)octanal	7585	Click to see	216.32	unknown	via CMAUP database
alpha-Hexylcinnamaldehyde	1550884	Click to see	216.32	unknown	via CMAUP database
Hexyl cinnamic aldehyde	1715135	Click to see	216.32	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Pyranocoumarins / Linear pyranocoumarins
Graveolone	177751	Click to see CC1(CC(=O)C2=C(O1)C=C3C(=C2)C=CC(=O)O3)C	244.24	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxychromen-4-one	57339948	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(OC4O)CO)O)O)O)O	464.40	unknown	via CMAUP database
Kaempferol oxoanion	25202062	Click to see	285.23	unknown	via CMAUP database
Quercetin-7-olate	46906036	Click to see	301.23	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Isorhamnetin	5281654	Click to see	316.26	unknown	https://doi.org/10.1016/J.BSE.2007.03.023
Kaempferol	5280863	Click to see	286.24	unknown	https://doi.org/10.3724/SP.J.1009.2008.00430
Quercetin	5280343	Click to see	302.23	unknown	https://doi.org/10.1016/J.BSE.2007.03.023
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides
Petunidin 3-sambubioside	44256968	Click to see COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(CO5)O)O)O)O)O	611.50	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-7-O-glucuronides
Baicalin	64982	Click to see C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O	446.40	unknown	via CMAUP database
Oroxindin	3084961	Click to see	460.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] 3,4,5-trihydroxybenzoate	5480249	Click to see	616.50	unknown	via CMAUP database
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
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl D-galactopyranoside	11751616	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
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one	44258019	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)OC)O)O)O)O)O)O	624.50	unknown	via CMAUP database
Hyperoside	5281643	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	via CMAUP database
Isoquercetin	5280804	Click to see	464.40	unknown	via CMAUP database
Kaempferol-3-O-Rutinoside	5318767	Click to see	594.50	unknown	via CMAUP database
Quercetin 3-O-rhamnoside	18604930	Click to see	448.40	unknown	via CMAUP database
Rutin	5280805	Click to see	610.50	unknown	https://doi.org/10.1016/J.BSE.2007.03.023
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-7-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one	44258935	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O	578.50	unknown	https://doi.org/10.3724/SP.J.1009.2008.00430
Kaempferol-7-rhamnoside	25079965	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O	432.40	unknown	https://doi.org/10.3724/SP.J.1009.2008.00430
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 8-O-methylated flavonoids
Thymonin	442662	Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)O)O)O	360.30	unknown	via CMAUP database
Wogonin	5281703	Click to see	284.26	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavonoid C-glycosides
7-hydroxy-3-(4-hydroxyphenyl)-8-((2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-one	53384442	Click to see	416.40	unknown	https://doi.org/10.1016/J.BSE.2007.03.023
Puerarin	5281807	Click to see C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O	416.40	unknown	https://doi.org/10.1016/J.BSE.2007.03.023
> Phenylpropanoids and polyketides / Ochratoxins and related substances
N-(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl)phenylalanine	4580	Click to see	403.80	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Tannins
1,3,6-Tri-O-Galloyl-Beta-D-Glucose	452707	Click to see	636.50	unknown	via CMAUP database
3,4,6-tri-O-galloyl-beta-d-glucose	14188641	Click to see	636.50	unknown	via CMAUP database
galloyl(-2)[galloyl(-6)]Glc(a)-O-galloyl	11969002	Click to see	636.50	unknown	via CMAUP database
Penta-O-galloyl-beta-D-glucose	65238	Click to see	940.70	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
[(1S,4aR,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxy-3-methoxybenzoate	11972295	Click to see	498.50	unknown	via CMAUP database
Chebulagic Acid	442674	Click to see	954.70	unknown	via CMAUP database

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Bupleurum chinense

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