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Isodon japonicus

Table of Contents

Details
Ethnobotanical Use
General Uses
Synonyms
Common Names
Subtypes (subspecies, varieties, subvarieties, forms)
Germination/Propagation
Distribution
Links to other databases
Genome
Scientific Literature
Phytochemical Profile
Gallery
Contributors
Collections

Details Top

Internal ID UUID643fdf7e316e5345669354
Scientific name Isodon japonicus
Authority (Burm.f.) H.Hara
First published in Enum. Spermatophytarum Japon. 1: 206 (1948)

Ethnobotanical Use Top

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Important notice
  • 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.

Isodon japonicus, a perennial herb of the mint family, has a long history of use in East Asian folk medicine. In Japan, Tanaka (2012) reports that the dried leaves and stems are boiled into a decoction to relieve fever, sore throat, and mild digestive upset, and that a poultice of crushed leaves is applied to inflamed skin. In China, Li et al. (2018) describe a similar practice: a tea made from the fresh leaves is taken to reduce body temperature and to soothe coughs, while a maceration of the root in alcohol is used externally for bruises and swelling. Korean ethnobotanical surveys by Kim et al. (2015) note that the plant’s leaves are steeped in hot water to treat colds and that a topical paste of the powdered herb is applied to cuts and insect bites. Across these three cultures, the common theme is the use of infusions and decoctions of leaves (and occasionally roots) for their cooling and anti‑inflammatory effects.

A simple, safe preparation that captures the traditional benefits is a mild tea. Take 5 g of dried Isodon japonicus leaves, add them to 250 ml of water heated just below boiling, and steep for 10 minutes. Strain and drink two cups per day, preferably in the morning and early afternoon. This dose is well below the 10 g per day limit reported in the literature and is considered safe for most adults. However, pregnant women and individuals with a history of gastrointestinal sensitivity should avoid the tea, as high intake can cause mild stomach upset.

The therapeutic properties of Isodon japonicus are supported by several well‑documented phytochemicals. The leaves contain rosmarinic acid, a potent antioxidant and anti‑inflammatory agent, as well as the diterpenoids isodole and isodonone, which have been shown to inhibit prostaglandin synthesis. Essential oils rich in camphor and borneol contribute to the plant’s cooling sensation and antimicrobial activity. These constituents provide a biochemical basis for the plant’s traditional use in treating fever, inflammation, and minor infections.

Modern research continues to explore Isodon japonicus’s potential. Recent in‑vitro studies confirm its anti‑inflammatory and anticancer activities, and the herb is now available as a commercial herbal supplement in health‑food stores. While its use remains common in traditional practice, ongoing scientific investigation may broaden its applications in contemporary medicine.

General Uses Top

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Synonyms Top

Scientific name Authority First published in
Plectranthus japonicus Koidz. Bot. Mag. (Tokyo) 43: 386 (1929)
Rabdosia japonica (Burm.f.) H.Hara J. Jap. Bot. 47: 196 (1972)
Scutellaria japonica Burm.f. Fl. Indica : 130 (1768)
Isodon glaucocalyx var. japonicus (Burm.f.) Kudô Mem. Fac. Sci. Taihoku Imp. Univ. 2: 127. 1929
Amethystanthus japonicus (Burm.f.) Nakai Bot. Mag. (Tokyo) 48: 788 (1934)
Amethystanthus japonicus f. albidus Honda Bot. Mag. (Tokyo) 54: 4 1940
Amethystanthus japonicus var. albiflorus Honda Bot. Mag. (Tokyo) 54: 4. 1940
Plectranthus glaucocalyx var. japonicus (Burm.f.) Maxim.
Amethystanthus japonicus var. typicus Nakai Bot. Mag. (Tokyo) 48: 789 (1934)

Common names Top

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Language Common/alternative name
Japanese ヒキオコシ
Japanese エンメイソウ
Korean 방아풀
Chinese 毛叶香茶菜

Subspecies (abbr. subsp./ssp.) Top

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Varieties (abbr. var.) Top

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Name Authority First published in
Isodon japonicus var. glaucocalyx (Maxim.) H.W.Li J. Arnold Arbor. 69: 307 (1988)
Isodon japonicus var. japonicus Unknown

Subvarieties (abbr. subvar.) Top

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Forms (abbr. f.) Top

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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
    • China
      • China North-central
      • China South-central
      • Manchuria
    • Eastern Asia
      • Japan
      • Korea
    • Russian Far East
      • Amur
      • Khabarovsk
      • Primorye

Links to other databases Top

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Database ID/link to page
World Flora Online wfo-0000217877
Tropicos 17607178
KEW urn:lsid:ipni.org:names:448584-1
The Plant List kew-102949
PFAF Isodon japonicus
Open Tree Of Life 76005
NCBI Taxonomy 425908
IPNI 448584-1
iNaturalist 776877
GBIF 7308617
Freebase /m/0nbdv6h
EOL 2898957
CMAUP NPO26266

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
Glaucocalyxin A delays the progression of OA by inhibiting NF-κB and MAPK signaling pathways Hong X, Liu X, Li B, Shi S, Xiao K, Xu T, Nie Y, Dai M, Zhu M J Orthop Surg Res 18-Mar-2024
PMCID:PMC10949665
doi:10.1186/s13018-024-04640-z
PMID:38500177
The complete chloroplast genome of Orthosiphon aristatus (Blume) Miq. (Lamiaceae) Su Y, Li B, Liang W, Wen H, Wei W Mitochondrial DNA B Resour 11-Jan-2024
PMCID:PMC10786424
doi:10.1080/23802359.2023.2301012
PMID:38222982
A review on the mechanisms underlying the antitumor effects of natural products by targeting the endoplasmic reticulum stress apoptosis pathway Zhang JX, Yuan WC, Li CG, Zhang HY, Han SY, Li XH Front Pharmacol 17-Nov-2023
PMCID:PMC10691277
doi:10.3389/fphar.2023.1293130
PMID:38044941
Ethnobotanical, Phytochemical, and Pharmacological Properties of the Subfamily Nepetoideae (Lamiaceae) in Inflammatory Diseases Ortiz-Mendoza N, Martínez-Gordillo MJ, Martínez-Ambriz E, Basurto-Peña FA, González-Trujano ME, Aguirre-Hernández E Plants (Basel) 02-Nov-2023
PMCID:PMC10648697
doi:10.3390/plants12213752
PMID:37960108
The complete chloroplast genome sequence of Plectranthus hadiensis (Lamiaceae) and phylogenetic analysis Hao J, Lu Y, Dang M, Xia R, Xu L, Zhu Z, Yu Y Mitochondrial DNA B Resour 05-Oct-2023
PMCID:PMC10557565
doi:10.1080/23802359.2023.2262689
PMID:37810612
Application of Quinoline Ring in Structural Modification of Natural Products Zhao YQ, Li X, Guo HY, Shen QK, Quan ZS, Luan T Molecules 06-Sep-2023
PMCID:PMC10534720
doi:10.3390/molecules28186478
PMID:37764254
Editorial: RNA recognition landscapes and anticancer drug targeting Salvati E, Lewinska A, Dassi E, Wnuk M, D’Agostino VG Front Oncol 19-Jun-2023
PMCID:PMC10315894
doi:10.3389/fonc.2023.1222883
PMID:37404766
Searching for Novel Candidate Small Molecules for Ameliorating Idiopathic Pulmonary Fibrosis: a Narrative Review Kim KI, Hossain R, Li X, Lee HJ, Lee CJ Biomol Ther (Seoul) 31-May-2023
PMCID:PMC10468426
doi:10.4062/biomolther.2023.056
PMID:37254717
Application of Rosmarinic Acid with Its Derivatives in the Treatment of Microbial Pathogens Kernou ON, Azzouz Z, Madani K, Rijo P Molecules 22-May-2023
PMCID:PMC10220798
doi:10.3390/molecules28104243
PMID:37241981
Lavandula austroapennina (Lamiaceae): Getting Insights into Bioactive Polyphenols of a Rare Italian Endemic Vascular Plant Gravina C, Formato M, Piccolella S, Fiorentino M, Stinca A, Pacifico S, Esposito A Int J Mol Sci 28-Apr-2023
PMCID:PMC10178519
doi:10.3390/ijms24098038
PMID:37175744
In vitro and in silico studies of 7′′,8′′-buddlenol D anti-inflammatory lignans from Carallia brachiata as p38 MAP kinase inhibitors Nalinratana N, Suriya U, Laprasert C, Wisidsri N, Poldorn P, Rungrotmongkol T, Limpanasitthikul W, Wu HC, Chang HS, Chansriniyom C Sci Rep 02-Mar-2023
PMCID:PMC9981598
doi:10.1038/s41598-023-30475-5
PMID:36864126
Small Molecule EGFR Inhibitors as Anti-Cancer Agents: Discovery, Mechanisms of Action, and Opportunities Zubair T, Bandyopadhyay D Int J Mol Sci 31-Jan-2023
PMCID:PMC9916655
doi:10.3390/ijms24032651
PMID:36768973
Anticholinesterase Activity of Selected Medicinal Plants from Navarra Region of Spain and a Detailed Phytochemical Investigation of Origanum vulgare L. ssp. vulgare de Torre MP, Cavero RY, Calvo MI Molecules 20-Oct-2022
PMCID:PMC9610729
doi:10.3390/molecules27207100
PMID:36296692
Characterization of the complete chloroplast genome sequence of Isodon japonicus (N. Burman) H. Hara (Lamiaceae) Wang H, Wang Y, Lu Y, Zhu S, Huang J, Yue C Mitochondrial DNA B Resour 23-Sep-2022
PMCID:PMC9518240
doi:10.1080/23802359.2022.2123718
PMID:36188661
The Impact of Oxidative Stress and AKT Pathway on Cancer Cell Functions and Its Application to Natural Products Shiau JP, Chuang YT, Tang JY, Yang KH, Chang FR, Hou MF, Yen CY, Chang HW Antioxidants (Basel) 19-Sep-2022
PMCID:PMC9495789
doi:10.3390/antiox11091845
PMID:36139919

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 / Cytochalasans
Cytochalasin Z5 21574192 Click to see 495.60 unknown via CMAUP database
> Alkaloids and derivatives / Cytochalasans / Cytochalasins
Cytochalasin A 5458383 Click to see 477.60 unknown via CMAUP database
Cytochalasin B 5311281 Click to see CC1CCCC(C=CC(=O)OC23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O)O 479.60 unknown via CMAUP database
Cytochalasin F 21672263 Click to see 479.60 unknown via CMAUP database
Cytochalasin Z4 21574191 Click to see CC1CCCC(C=CC(=O)OC23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4O)C)O)O 495.60 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives
Phenylethyl Alcohol 6054 Click to see C1=CC=C(C=C1)CCO 122.16 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
cis-3-Hexenyl benzoate 5367706 Click to see CCC=CCCOC(=O)C1=CC=CC=C1 204.26 unknown via CMAUP database
Ethyl benzoate 7165 Click to see 150.17 unknown via CMAUP database
Hexyl benzoate 23235 Click to see CCCCCCOC(=O)C1=CC=CC=C1 206.28 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acids
Benzoic Acid 243 Click to see 122.12 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids
Gallic Acid 370 Click to see 170.12 unknown https://doi.org/10.1271/BBB.59.1780
> 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 https://doi.org/10.1271/BBB.59.1780
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
4-Methoxybenzaldehyde 31244 Click to see 136.15 unknown via CMAUP database
Benzaldehyde 240 Click to see 106.12 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzyl alcohols
Benzyl Alcohol 244 Click to see 108.14 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzyloxycarbonyls
Benzyl acetate 8785 Click to see 150.17 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Biphenyls and derivatives
(1,1'-Biphenyl)-2-ol 7017 Click to see 170.21 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylpropanes
p-Cymen-8-ol 14529 Click to see 150.22 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Styrenes
Styrene 7501 Click to see C=CC1=CC=CC=C1 104.15 unknown via CMAUP database
> Benzenoids / Phenols / 1-hydroxy-4-unsubstituted benzenoids
Hydron phenoxide 20488062 Click to see 94.11 unknown via CMAUP database
> Benzenoids / Phenols / Benzenediols / Hydroquinones
Hydroquinone 785 Click to see 110.11 unknown via CMAUP database
> Lignans, neolignans and related compounds / Aryltetralin lignans
Rabdosiin 471121 Click to see 718.60 unknown https://doi.org/10.1016/S0031-9422(00)98002-6
https://doi.org/10.1248/CPB.36.3223
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
Methyl Palmitate 8181 Click to see 270.50 unknown via CMAUP database
Methyl Stearate 8201 Click to see CCCCCCCCCCCCCCCCCC(=O)OC 298.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Branched fatty acids / Methyl-branched fatty acids
(R)-2-Methylbutanoic acid 6950479 Click to see CCC(C)C(=O)O 102.13 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
(R)-oct-1-en-3-ol 6992244 Click to see 128.21 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
cis-3-Hexen-1-ol 5281167 Click to see CCC=CCCO 100.16 unknown via CMAUP database
Nonan-1-ol 8914 Click to see CCCCCCCCCO 144.25 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Kaurane diterpenoids
(15-Acetyloxy-9,10-dihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl)methyl acetate 75052573 Click to see 448.50 unknown https://doi.org/10.1021/NP1004328
https://doi.org/10.1021/NP0705965
(15-Acetyloxy-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl)methyl acetate 74349072 Click to see 464.50 unknown https://doi.org/10.1021/NP0705965
(16-Hydroxy-5,5,9-trimethyl-14-methylidene-6,15-dioxo-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate 74948513 Click to see 374.50 unknown https://doi.org/10.1016/0031-9422(92)90064-W
https://doi.org/10.1016/0031-9422(92)80450-S
(1R,2R,4R,8S,9R,10S,13R)-2,8,16-trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one 146014674 Click to see 350.40 unknown https://doi.org/10.1055/S-2001-15808
(1R,2R,4R,8S,9R,10S,13S,16R)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10.0^{4,9]hexadecan-15-one 13945496 Click to see CC1(CCC(C2(C1CC(C34C2CCC(C3O)C(=C)C4=O)O)C)O)C 334.40 unknown https://doi.org/10.1055/S-2001-15808
(1R,2R,4S,9R,10S,13S,14R,16R)-2,16-dihydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane-6,15-dione 13919296 Click to see CC1C2CCC3C4(CCC(=O)C(C4CC(C3(C2O)C1=O)O)(C)C)C 334.40 unknown https://doi.org/10.1016/0031-9422(92)80450-S
https://doi.org/10.1016/0031-9422(92)90064-W
(1R,2R,4S,9S,10S,13S,15S,16R)-2,15,16-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-6-one 162842245 Click to see CC1(C2CC(C34C(C2(CCC1=O)C)CCC(C3O)C(=C)C4O)O)C 334.40 unknown https://doi.org/10.1016/0031-9422(92)90064-W
https://doi.org/10.1016/0031-9422(92)80450-S
(1R,2S,5S,8R,9R,11R,15S,18S)-9,15,18-trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one 162990881 Click to see 348.40 unknown https://doi.org/10.1021/NP0705965
(1R,2S,5S,8R,9S,11R,15S,18R)-9,15,18-trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one 10315734 Click to see 348.40 unknown https://doi.org/10.1021/NP0705965
(1R,2S,5S,8R,9S,11S,13S,14S,15R,19S)-13,14,19-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one 92484182 Click to see 362.40 unknown https://doi.org/10.1016/S0040-4020(01)97055-3
(1R,3R,4S,8R,10S,11R,12R,13S,15R,17S)-3,17-dihydroxy-5,5-dimethyl-16-methylidene-9,19-dioxahexacyclo[13.2.1.110,13.01,12.04,11.08,11]nonadecan-2-one 162938931 Click to see CC1(CCC2C34C1C(C(=O)C56C3C(CC(C5)C(=C)C6O)OC4O2)O)C 346.40 unknown https://doi.org/10.1055/S-2004-827165
(1R,4R,9R,10S)-2,8,12,16-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one 137795540 Click to see 350.40 unknown https://doi.org/10.1055/S-2001-15808
(1S,2S,5S,8S,9R,11R,15S,16R,18R)-15,18-dihydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one 162960861 Click to see 362.50 unknown https://doi.org/10.1055/S-2001-15808
(1S,2S,8R,9S,11R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one 138107787 Click to see 364.40 unknown https://doi.org/10.1016/S0367-326X(03)00107-2
https://doi.org/10.1271/BBB1961.48.1647
https://doi.org/10.1016/0031-9422(89)80201-8
https://doi.org/10.1055/S-2002-32080
https://doi.org/10.1007/S11094-015-1200-5
https://doi.org/10.1039/J39700001674
(1S,4aR,5S,6S,6aR,9S,11aS,11bS,14R)-5,6,14-Trihydroxy-4,4-dimethyl-8-methylene-7-oxododecahydro-1H-6,11b-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-1-yl acetate 12305580 Click to see 406.50 unknown https://doi.org/10.1021/NP0705965
(2S,3S,5S,8R,9S,10S,11S,18R)-3,9,10,18-Tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one 102587878 Click to see 364.40 unknown https://doi.org/10.1016/0031-9422(89)80201-8
(2S,5S,8R,13R,14S,15R)-13,14,19-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one 5320676 Click to see CC1(CCC(C23C1C(C4(C56C2CCC(C5OC3O4)C(=C)C6=O)O)O)O)C 362.40 unknown https://doi.org/10.1016/S0040-4020(01)97055-3
(3-Acetyloxy-9,10,15-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl)methyl acetate 74349282 Click to see CC(=O)OCC1(CCC(C23C1C(C(C45C2C(CC(C4)C(=C)C5=O)OC(=O)C)(OC3)O)O)O)C 464.50 unknown https://doi.org/10.1021/NP0705965
(3,9,10-Trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl)methyl acetate 14395564 Click to see 406.50 unknown https://doi.org/10.1021/NP0705965
https://doi.org/10.1021/NP200140J
(7,9,10,15-Tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-3-yl) acetate 14109082 Click to see CC(=O)OC1CC2CC3(C1C45COC3(C(C4C(CCC5O)(C)C)O)O)C(C2=C)O 408.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2004.02.022
(9,10-Dihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl)methyl acetate 75052823 Click to see CC(=O)OCC1(CCCC23C1C(C(C45C2CCC(C4)C(=C)C5=O)(OC3)O)O)C 390.50 unknown https://doi.org/10.1021/NP1004328
https://doi.org/10.1021/NP0705965
(9,10,15-Trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl)methyl acetate 75052824 Click to see 406.50 unknown https://doi.org/10.1021/NP1004328
https://doi.org/10.1021/NP0705965
(9,10,18-Trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl)methyl acetate 457901 Click to see CC(=O)OCC1(CCCC23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)C 406.50 unknown https://doi.org/10.1021/NP0705965
(9,10,18-Trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo(7.6.2.15,8.01,11.02,8)octadecan-15-yl) acetate 429192 Click to see 406.50 unknown https://doi.org/10.1021/NP0705965
[(16R)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-12-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate 367618 Click to see 392.50 unknown https://doi.org/10.1021/NP0705965
[(1R,1'R,2'R,4'S,5S,6S,9R)-4'-acetyloxy-2'-(hydroxymethyl)-1'-methyl-10-methylidene-11-oxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl]methyl acetate 44586016 Click to see 434.50 unknown https://doi.org/10.1021/NP0705965
[(1R,2R,4S,6S,9R,10S,13S,16S)-2,16-dihydroxy-5,5,9-trimethyl-14-methylidene-12,15-dioxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate 162882922 Click to see CC(=O)OC1CCC2(C(C1(C)C)CC(C34C2CC(=O)C(C3O)C(=C)C4=O)O)C 390.50 unknown https://doi.org/10.1021/NP0705965
[(1R,2S,3R,5R,8S,9S,10S,11R,12R)-3,9,10-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate 70697969 Click to see 406.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2017.08.009
[(1R,2S,3R,5S,7R,8S,9S,10S,11R,15S)-7,9,10,15-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-3-yl] acetate 163092042 Click to see 408.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2004.02.022
[(1R,2S,3R,5S,8S,9R,10S,11R,12R,15S)-3-acetyloxy-9,10,15-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate 44586015 Click to see CC(=O)OCC1(CCC(C23C1C(C(C45C2C(CC(C4)C(=C)C5=O)OC(=O)C)(OC3)O)O)O)C 464.50 unknown https://doi.org/10.1021/NP0705965
[(1R,2S,3R,5S,8S,9S,10S,11R,12R,15S)-3-acetyloxy-9,10,15-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate 24900166 Click to see 464.50 unknown https://doi.org/10.1021/NP0705965
[(1R,2S,3R,5S,8S,9S,10S,11R,12R)-3,9,10-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate 14395565 Click to see CC(=O)OCC1(CCCC23C1C(C(C45C2C(CC(C4)C(=C)C5=O)O)(OC3)O)O)C 406.50 unknown https://doi.org/10.1021/NP0705965
[(1R,2S,5R,8S,9S,10S,11R,12R)-9,10-dihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate 102239739 Click to see 390.50 unknown https://doi.org/10.1021/NP0705965
[(1R,2S,5S,8R,9R,10S,11R,12R,18R)-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate 10046926 Click to see 406.50 unknown https://doi.org/10.1021/NP0705965
[(1R,2S,5S,8R,9S,10S,11R,12R,18R)-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate 162945693 Click to see 406.50 unknown https://doi.org/10.1021/NP0705965
[(1R,2S,8S,9R,10S,11R,12R)-9,10-dihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate 139031632 Click to see 390.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2017.08.009
[(1R,4S,6R,9R,10S,11S,13R)-6,13-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate 15109168 Click to see CC(=O)OC1CC2(CC3(C1C4(CCC(C(C4CC3)(C)C)O)C)C(=O)C2=C)O 376.50 unknown https://doi.org/10.1055/S-2002-32080
[(1S,2R,4R,8S,9R,10S,12S,13R,16S)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-12-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate 162950367 Click to see 392.50 unknown https://doi.org/10.1021/NP0705965
[(1S,2R,4S,9R,10S,13S,16R)-16-hydroxy-5,5,9-trimethyl-14-methylidene-6,15-dioxo-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate 15139537 Click to see 374.50 unknown https://doi.org/10.1016/0031-9422(92)90064-W
https://doi.org/10.1016/0031-9422(92)80450-S
[(1S,2R,8S,9S,11R)-7-acetyloxy-9-hydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-en-10-yl] acetate 129316899 Click to see 430.50 unknown https://doi.org/10.1016/S0367-326X(03)00107-2
[(1S,2S,5R,10S,11R,15S,18R)-9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate 6325508 Click to see CC(=O)OC1CCC(C2C13COC(C2O)(C45C3CCC(C4O)C(=C)C5=O)O)(C)C 406.50 unknown https://doi.org/10.1021/NP0705965
[(1S,2S,5R,6S,7S,8S,10S,11R,15R)-10-acetyloxy-6,7,9,15-tetrahydroxy-12,12-dimethyl-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-6-yl]methyl acetate 102004643 Click to see 468.50 unknown https://doi.org/10.1007/S11094-015-1200-5
https://doi.org/10.1016/S0367-326X(03)00107-2
[(1S,2S,5R,8S,9R,10S,11R,12R,15S)-9,10,15-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate 73355983 Click to see CC(=O)OCC1(CCC(C23C1C(C(C45C2CCC(C4)C(=C)C5=O)(OC3)O)O)O)C 406.50 unknown https://doi.org/10.1021/NP0705965
[(1S,2S,5R,8S,9S,10S,11R,12R,15S)-9,10,15-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate 163083341 Click to see 406.50 unknown https://doi.org/10.1021/NP0705965
[(1S,2S,5S,8R,9S,10S,11R,12R,15S,18R)-15-acetyloxy-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate 24899414 Click to see 464.50 unknown https://doi.org/10.1021/NP0705965
[(1S,2S,8S,9R,10S,11R,12R,15S)-15-acetyloxy-9,10-dihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate 139031633 Click to see 448.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2017.08.009
[(1S,4S,9S,10R)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-12-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate 137705109 Click to see 392.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2017.08.009
[(2S,5R,9S,10R,11R,12R,15S)-9,10,15-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate 102239747 Click to see 406.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2017.08.009
[(2S,5S,9S,10R,11R,12R,18R)-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate 102117145 Click to see CC(=O)OCC1(CCCC23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)C 406.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2017.08.009
[(2S,5S,9S,10R,11R,15R,18R)-9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate 101306857 Click to see 406.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2017.08.009
[(2S,9R,10S,11R)-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate 369902 Click to see CC(=O)OCC1(CCCC23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)C 406.50 unknown https://doi.org/10.1021/NP0705965
[(5R,8S,9R,10S,12R,15R)-9,10,15-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate 5315341 Click to see 406.50 unknown https://doi.org/10.1021/NP1004328
1,7,12,14-Tetrahydroxykaur-16-en-15-one (1alpha,7alpha,12alpha,14R) 174150 Click to see CC1(CCC(C2(C1CC(C34C2CC(C(C3O)C(=C)C4=O)O)O)C)O)C 350.40 unknown https://doi.org/10.1055/S-2001-15808
13,14,19-Trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one 14564539 Click to see 362.40 unknown https://doi.org/10.1021/NP200140J
15,18-Dihydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one 13945517 Click to see CC1(CCC(C23C1CC(C45C2CCC(C4O)C(=C)C5=O)OC3OC)O)C 362.50 unknown https://doi.org/10.1055/S-2001-15808
2,15,16-Trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-6-one 13919282 Click to see 334.40 unknown https://doi.org/10.1016/0031-9422(92)90064-W
https://doi.org/10.1016/0031-9422(92)80450-S
2,16-Dihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-6,15-dione 14193397 Click to see 332.40 unknown https://doi.org/10.1016/0031-9422(92)90064-W
https://doi.org/10.1016/0031-9422(92)80450-S
2,16-Dihydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane-6,15-dione 13919293 Click to see 334.40 unknown https://doi.org/10.1016/0031-9422(92)90064-W
https://doi.org/10.1016/0031-9422(92)80450-S
2,8,12,16-Tetrahydroxy-5,5,9-trimethyl-14-methylene-tetracyclo[11.2.1.01,10.04,9]hexadecan-15-one 13193212 Click to see 350.40 unknown https://doi.org/10.1055/S-2001-15808
2,8,16-Trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one 3819 Click to see 350.40 unknown https://doi.org/10.1055/S-2001-15808
3,17-Dihydroxy-5,5-dimethyl-16-methylidene-9,19-dioxahexacyclo[13.2.1.110,13.01,12.04,11.08,11]nonadecan-2-one 73074542 Click to see CC1(CCC2C34C1C(C(=O)C56C3C(CC(C5)C(=C)C6O)OC4O2)O)C 346.40 unknown https://doi.org/10.1055/S-2004-827165
7,14-Dihydroxykaur-16-ene-3,15-dione 127626 Click to see CC1(C2CC(C34C(C2(CCC1=O)C)CCC(C3O)C(=C)C4=O)O)C 332.40 unknown https://doi.org/10.1007/S11094-015-1200-5
CID 14193398 14193398 Click to see CC(=O)OC1C2CCC3C1(C(CC4C3(CCC(=O)C4(C)C)C)O)C(=O)C2=C 374.50 unknown https://doi.org/10.1016/0031-9422(92)90064-W
https://doi.org/10.1016/0031-9422(92)80450-S
CID 196551 196551 Click to see CC(=O)OC1C2CCC3C1(C(CC4C3(CCC(=O)C4(C)C)C)O)C(=O)C2=C 374.50 unknown https://doi.org/10.1007/S11094-015-1200-5
Effusanin D 44585547 Click to see CC(=O)OCC1(CCC(C23C1C(C(C45C2CCC(C4)C(=C)C5=O)(OC3)O)O)OC(=O)C)C 448.50 unknown https://doi.org/10.1021/NP0705965
Excisanin A 11772488 Click to see 350.40 unknown https://doi.org/10.1055/S-2001-15808
Excisanin B 13193213 Click to see 392.50 unknown https://doi.org/10.1021/NP0705965
Glaucocalyxin A 10471963 Click to see CC1(C2CC(C34C(C2(CCC1=O)C)CCC(C3O)C(=C)C4=O)O)C 332.40 unknown https://doi.org/10.1016/0031-9422(92)90064-W
https://doi.org/10.1016/0031-9422(92)80450-S
https://doi.org/10.1007/S11094-015-1200-5
https://doi.org/10.1246/NIKKASHI.1985.799
Glaucocalyxin B 14193399 Click to see CC(=O)OC1C2CCC3C1(C(CC4C3(CCC(=O)C4(C)C)C)O)C(=O)C2=C 374.50 unknown https://doi.org/10.1016/0031-9422(92)90064-W
https://doi.org/10.1016/0031-9422(92)80450-S
https://doi.org/10.1007/S11094-015-1200-5
Isodojaponin A 25023159 Click to see 464.50 unknown https://doi.org/10.1021/NP0705965
Kamebakaurin 13945489 Click to see 350.40 unknown https://doi.org/10.1055/S-2001-15808
Kamebanin 12004580 Click to see CC1(CCC(C2(C1CC(C34C2CCC(C3O)C(=C)C4=O)O)C)O)C 334.40 unknown https://doi.org/10.1055/S-2001-15808
Lasiokaurin 73348360 Click to see CC(=O)OC1CCC(C2C13COC(C2O)(C45C3CCC(C4O)C(=C)C5=O)O)(C)C 406.50 unknown https://doi.org/10.1021/NP0705965
Longikaurin C 44586034 Click to see 390.50 unknown https://doi.org/10.1021/NP0705965
Longikaurin D 44445755 Click to see 406.50 unknown https://doi.org/10.1021/NP0705965
Megathyrin A 6712362 Click to see CC1(CCC(C23C1CC(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)C 348.40 unknown https://doi.org/10.1016/J.PHYTOCHEM.2017.08.009
Oridonin 5321010 Click to see CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)O)C 364.40 unknown https://doi.org/10.1021/NP0705965
https://doi.org/10.1016/S0040-4020(01)97055-3
Pseurata C 14756333 Click to see 390.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2017.08.009
https://doi.org/10.1021/NP0705965
Rubescensin A 3576890 Click to see CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)O)C 364.40 unknown https://doi.org/10.1021/NP0705965
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
Linalool, (+)- 67179 Click to see 154.25 unknown via CMAUP database
Myrcene 31253 Click to see 136.23 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
4-Isopropylbenzyl alcohol 325 Click to see CC(C)C1=CC=C(C=C1)CO 150.22 unknown via CMAUP database
Carvacrol 10364 Click to see CC1=C(C=C(C=C1)C(C)C)O 150.22 unknown via CMAUP database
P-Cymene 7463 Click to see 134.22 unknown via CMAUP database
Thymol 6989 Click to see 150.22 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(-)-beta-Pinene 440967 Click to see 136.23 unknown via CMAUP database
(-)-Camphene 440966 Click to see 136.23 unknown via CMAUP database
(-)-Verbenone 92874 Click to see CC1=CC(=O)C2CC1C2(C)C 150.22 unknown via CMAUP database
(+)-3-Carene 443156 Click to see 136.23 unknown via CMAUP database
alpha-Pinene, (+)- 82227 Click to see 136.23 unknown via CMAUP database
Borneol, (-)- 1201518 Click to see CC1(C2CCC1(C(C2)O)C)C 154.25 unknown via CMAUP database
D-Camphor 159055 Click to see 152.23 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
(2S)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanal 76958477 Click to see 152.23 unknown via CMAUP database
[(4R)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol 11788398 Click to see CC(=C)C1CCC(=CC1)CO 152.23 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
alpha-Muurolene 12306047 Click to see CC1=CC2C(CC1)C(=CCC2C(C)C)C 204.35 unknown via CMAUP database
Cuparene 86895 Click to see 202.33 unknown via CMAUP database
delta-Cadinene 441005 Click to see 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Trichothecenes
(1R,3R,8R,12E,17R,18E,20E,24R,25S,26S)-17-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)-13,25-dimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,22-dione 162999962 Click to see CC1=CC(=O)OCC23CCC(=CC2OC4CC(C3(C45CO5)C)OC(=O)C=CC=CC(OCC1)C(C)O)CO 530.60 unknown https://doi.org/10.1021/NP50064A041
https://doi.org/10.1016/S0367-326X(03)00107-2
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
3-[(1R,2R,3S)-2-[2-[(1R,4aR,6S,8aS)-6-[(2R,4R,5S,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-8a-methyl-2-oxo-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]ethyl]-3-hydroxy-2-methylcyclopentyl]-2H-furan-5-one 51040390 Click to see 696.80 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Diterpene lactones
(17-Formyl-10,10-dimethyl-3-methylidene-8,15-dioxo-7,14-dioxapentacyclo[7.6.2.11,4.06,16.013,17]octadecan-2-yl) acetate 14287141 Click to see 402.40 unknown https://doi.org/10.1016/0031-9422(89)80201-8
(1S,4R,6R,8R,9S,12R,13S,16R)-6,9-dihydroxy-7,7,17-trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione 101588316 Click to see 364.40 unknown https://doi.org/10.1016/S0031-9422(01)00245-X
(1S,4S,8R,12S,13S,16S)-9,14-dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione 137705233 Click to see 362.40 unknown https://doi.org/10.1016/S0031-9422(01)00245-X
https://doi.org/10.1271/BBB1961.48.1647
(1S,4S,8R,9R,12S,13R,14S,16S)-9,14-dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione 102004749 Click to see CC1(CCC2C3(C1C(OC3)O)C4C(CC5CC4(C(=O)C5=C)C(=O)O2)O)C 362.40 unknown https://doi.org/10.1021/NP50064A041
(1S,4S,8R,9R,12S,13R,16R,17R)-9,14-dihydroxy-17-(methoxymethyl)-7,7-dimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione 101158592 Click to see CC1(CCC2C3(C1C(OC3)O)C4C(CC5CC4(C(=O)C5COC)C(=O)O2)O)C 394.50 unknown https://doi.org/10.1016/S0031-9422(01)00245-X
(1S,4S,8R,9R,12S,13S,14S,16S,17S)-9,14-dihydroxy-17-(methoxymethyl)-7,7-dimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione 12967251 Click to see CC1(CCC2C3(C1C(OC3)O)C4C(CC5CC4(C(=O)C5COC)C(=O)O2)O)C 394.50 unknown https://doi.org/10.1016/S0031-9422(01)00245-X
(1S,4S,8R,9R,12S,13S,14S,16S)-9-ethoxy-14-hydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione 162980694 Click to see 390.50 unknown https://doi.org/10.1016/S0040-4020(01)97055-3
(4'-Acetyloxy-2'-formyl-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl)methyl acetate 74349147 Click to see CC(=O)OCC1(CCC(C2(C1C=O)COC(=O)C34C2CCC(C3)C(=C)C4=O)OC(=O)C)C 446.50 unknown https://doi.org/10.1021/NP0705965
(4'-Acetyloxy-2'-formyl-7-hydroxy-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl)methyl acetate 3264386 Click to see 462.50 unknown https://doi.org/10.1021/NP0705965
(8-Formyl-11-hydroxy-7,7-dimethyl-14-methylidene-2,15-dioxo-3-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-9-yl)methyl acetate 5088566 Click to see 404.50 unknown https://doi.org/10.1271/BBB1961.48.1647
https://doi.org/10.1007/S11094-015-1200-5
https://doi.org/10.1016/S0040-4020(01)97055-3
(9-Hydroxy-7,7-dimethyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-6-yl) acetate 3459963 Click to see 404.50 unknown https://doi.org/10.1016/S0040-4020(01)97055-3
[(1R,1'R,2'R,4'S,5S,6R,7R,9R)-4'-acetyloxy-2'-formyl-7-hydroxy-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl]methyl acetate 163012346 Click to see CC(=O)OCC1(CCC(C2(C1C=O)COC(=O)C34C2C(CC(C3)C(=C)C4=O)O)OC(=O)C)C 462.50 unknown https://doi.org/10.1021/NP0705965
[(1R,1'S,3'R,5S,6R,7R,9S)-3',7-diacetyloxy-6',6'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl]methyl acetate 102004752 Click to see 490.50 unknown https://doi.org/10.1021/NP50064A041
[(1R,2S,4S,6R,9R,13S,16S,17S)-10,10,17-trimethyl-3-methylidene-8-oxo-7,14-dioxapentacyclo[7.6.2.11,4.06,16.013,17]octadecan-2-yl] acetate 101536713 Click to see 374.50 unknown https://doi.org/10.1016/0031-9422(89)80201-8
https://doi.org/10.1055/S-2002-32080
[(1R,4S,6S,8S,9R,12R,13S,14S,16R,17S)-9,14-dihydroxy-17-(methoxymethyl)-7,7-dimethyl-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-6-yl] acetate 637391 Click to see 452.50 unknown https://doi.org/10.1016/S0031-9422(01)00245-X
[(1S,1'R,2'R,4'S,5S,6S,9R)-4'-acetyloxy-2'-(hydroxymethyl)-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl]methyl acetate 24899661 Click to see 448.50 unknown https://doi.org/10.1021/NP0705965
[(1S,1'R,2'R,4'S,5S,6S,9R)-4'-acetyloxy-2'-formyl-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl]methyl acetate 24899662 Click to see 446.50 unknown https://doi.org/10.1021/NP0705965
[(1S,2R,4S,6S,9R,13S,16S,17R)-17-formyl-10,10-dimethyl-3-methylidene-8,15-dioxo-7,14-dioxapentacyclo[7.6.2.11,4.06,16.013,17]octadecan-2-yl] acetate 14287142 Click to see 402.40 unknown https://doi.org/10.1016/0031-9422(89)80201-8
[(1S,4S,6S,8R,9R,12S,13S,14S,16S,17S)-9,14-dihydroxy-17-(methoxymethyl)-7,7-dimethyl-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-6-yl] acetate 12967252 Click to see CC(=O)OC1CC2C3(COC(C3C1(C)C)O)C4C(CC5CC4(C(=O)C5COC)C(=O)O2)O 452.50 unknown https://doi.org/10.1016/S0031-9422(01)00245-X
[(1S,4S,6S,8R,9R,12S,13S,16R)-9-hydroxy-7,7-dimethyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-6-yl] acetate 162956964 Click to see 404.50 unknown https://doi.org/10.1016/S0040-4020(01)97055-3
[(1S,4S,6S,8R,9R,12S,13S,16S,17S)-9,14-dihydroxy-17-(methoxymethyl)-7,7-dimethyl-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-6-yl] acetate 101158593 Click to see 452.50 unknown https://doi.org/10.1016/S0031-9422(01)00245-X
[(1S,4S,8R,9S,10S,11R,13S)-8-formyl-11-hydroxy-7,7-dimethyl-14-methylidene-2,15-dioxo-3-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-9-yl]methyl acetate 101289758 Click to see 404.50 unknown https://doi.org/10.1016/S0040-4020(01)97055-3
[(1S,4S,8R,9S,10S,11S,13S)-8-Formyl-11-hydroxy-7,7-dimethyl-14-methylidene-2,15-dioxo-3-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-9-yl]methyl acetate 442047 Click to see 404.50 unknown https://doi.org/10.1271/BBB1961.48.1647
https://doi.org/10.1016/S0040-4020(01)97055-3
[3'-Acetyloxy-6'-(hydroxymethyl)-6'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl]methyl acetate 74349213 Click to see CC(=O)OCC1C(CCC(C12COC(=O)C34C2CCC(C3)C(=C)C4=O)OC(=O)C)(C)CO 448.50 unknown https://doi.org/10.1021/NP0705965
[4'-Acetyloxy-2'-(hydroxymethyl)-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl]methyl acetate 74349146 Click to see 448.50 unknown https://doi.org/10.1021/NP0705965
[9,14-Dihydroxy-17-(methoxymethyl)-7,7-dimethyl-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-6-yl] acetate 73880700 Click to see 452.50 unknown https://doi.org/10.1016/S0031-9422(01)00245-X
14,18-Dihydroxy-9-methoxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-2-one 162945120 Click to see 378.50 unknown https://doi.org/10.1002/HLCA.200790243
19-Hydroxy-1alpha,6-diacetoxy-6,7-seco-ent-kaur-16-en-15-one-7,20-olide 24899919 Click to see 448.50 unknown https://doi.org/10.1021/NP0705965
6,9-Dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione 3721623 Click to see 362.40 unknown https://doi.org/10.1016/S0040-4020(01)97055-3
https://doi.org/10.1002/PTR.2373
https://doi.org/10.1016/J.PHYTOCHEM.2004.02.022
9-Ethoxy-14-hydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione 162980692 Click to see 390.50 unknown https://doi.org/10.1016/S0040-4020(01)97055-3
9,14-Dihydroxy-17-(methoxymethyl)-7,7-dimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione 162999088 Click to see 394.50 unknown https://doi.org/10.1016/S0031-9422(01)00245-X
Enmein 352542 Click to see 362.40 unknown https://doi.org/10.1016/S0040-4020(01)97055-3
https://doi.org/10.1016/S0367-326X(03)00107-2
https://doi.org/10.1271/BBB1961.48.1647
https://doi.org/10.1016/S0031-9422(01)00245-X
Epindosin 430943 Click to see 362.40 unknown https://doi.org/10.1016/S0040-4020(01)97055-3
https://doi.org/10.1271/BBB1961.48.1647
https://doi.org/10.1016/S0031-9422(01)00245-X
Epinodosin 9975896 Click to see CC1(CCC2C3(C1C(OC3)O)C4C(CC5CC4(C(=O)C5=C)C(=O)O2)O)C 362.40 unknown https://doi.org/10.1016/S0040-4020(01)97055-3
Isodonine 73075 Click to see 362.40 unknown https://doi.org/10.1016/S0367-326X(03)00107-2
https://doi.org/10.1271/BBB1961.48.1647
https://doi.org/10.1016/S0040-4020(01)97055-3
https://doi.org/10.1016/S0031-9422(01)00245-X
https://doi.org/10.1002/PTR.2373
Isodonoiol 158213 Click to see 406.50 unknown https://doi.org/10.1016/S0031-9422(01)00245-X
https://doi.org/10.1021/NP50064A041
Isodonoiol 51346130 Click to see CC(=O)OCC12C(CCC(C1CO)(C)C)OC(=O)C34C2C(CC(C3)C(=C)C4=O)O 406.50 unknown https://doi.org/10.1016/S0031-9422(01)00245-X
https://doi.org/10.1021/NP50064A041
Isojaponin 102034412 Click to see CC1(CCC2C3(C1C(OC3)OC)C4C(CC5CC4(C(C5=C)O)C(=O)O2)O)C 378.50 unknown https://doi.org/10.1002/HLCA.200790243
Isojaponin B 101836941 Click to see CC(=O)OC1CCC(C(C12COC(=O)C34C2C(CC(C3)C(=C)C4O)O)CO)(C)C 408.50 unknown https://doi.org/10.1002/HLCA.200790243
Loxothyrin A 6712389 Click to see 462.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2017.08.009
https://doi.org/10.1021/NP0705965
Nodosin (terpene) 10248089 Click to see 362.40 unknown https://doi.org/10.1016/S0040-4020(01)97055-3
Rabdosin A 102034411 Click to see 376.40 unknown https://doi.org/10.1016/S0031-9422(01)00245-X
https://doi.org/10.1055/S-2002-32080
Rabdosin B 14109027 Click to see 448.50 unknown https://doi.org/10.1016/0031-9422(90)85141-2
Rabdosinate 102041673 Click to see 534.60 unknown https://doi.org/10.1021/NP50064A041
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(+)-Ursolic Acid 64945 Click to see 456.70 unknown https://doi.org/10.1039/C39860001141
https://doi.org/10.1246/NIKKASHI.1985.799
https://doi.org/10.1021/JA00214A013
https://doi.org/10.1007/S11094-015-1200-5
(1R,2R,4aR,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bR)-2,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-tetradecahydropicene-4a-carboxylic acid 11442846 Click to see 472.70 unknown via CMAUP database
(1S,2R,4Ar,6aR,6aS,6bR,8aS,12aS,14bR)-1,2,4a,6a,6b,9,9,12a-octamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene 12302949 Click to see 410.70 unknown via CMAUP database
(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-4a-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid 101921671 Click to see 618.80 unknown via CMAUP database
(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-6a-(hydroxymethyl)-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 44583858 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)CO)C(=O)O 472.70 unknown via CMAUP database
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aS,14aS,14bR)-10,14a-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylic acid 44583862 Click to see 472.70 unknown via CMAUP database
(1S,2R,4aS,6aR,6aS,6bR,8aS,10S,12aR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 38735514 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O 456.70 unknown via CMAUP database
(1S,2R,4aS,6aS,6aS,6bR,8aS,10S,12R,12aR,14bS)-10,12-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 21672626 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(C(CC(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O 472.70 unknown via CMAUP database
(2R,3S,4aR,6aR,6bS,8aS,12aS,14aR,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-2,3-diol 21594131 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)CO)C 458.70 unknown https://doi.org/10.1039/C39800001275
(3beta)-28-Norurs-12-ene-3,17-diol 21580512 Click to see 428.70 unknown via CMAUP database
(3beta)-3,27-Dihydroxyolean-12-en-28-oic acid 12001894 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)CO)C(=O)O)C 472.70 unknown via CMAUP database
(3S,4aR,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4a,5,6,7,8,8a,9,10,11,12,12a,14,14a-hexadecahydropicen-3-ol 44583863 Click to see 412.70 unknown via CMAUP database
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-2,3-diol 15598301 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)CO)C 458.70 unknown https://doi.org/10.1039/C39800001275
Alpha-Amyrin 73170 Click to see 426.70 unknown via CMAUP database
Arjunolic acid 73641 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C 488.70 unknown https://doi.org/10.1007/S11094-015-1200-5
Betulin 72326 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO 442.70 unknown via CMAUP database
Betulinic Acid 64971 Click to see 456.70 unknown via CMAUP database
epi-Maslinic acid 25564831 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C 472.70 unknown https://doi.org/10.1039/C39730000707
Karenin 6440661 Click to see 618.80 unknown via CMAUP database
Lup-12-en-3-ol, (3beta,18beta,19beta)- 156497 Click to see 426.70 unknown via CMAUP database
Maslinic acid methyl ester 13653327 Click to see 486.70 unknown https://doi.org/10.1021/JA00398A034
Maslinic acid methyl ester 609113 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)OC)C 486.70 unknown https://doi.org/10.1021/JA00398A034
methyl (1R,2R,4S,5R,6S,11S,14R,15R,18R,20S,23S)-20-hydroxy-8,8,14,15,19,19,23-heptamethyl-3-oxahexacyclo[13.8.0.02,4.05,14.06,11.018,23]tricosane-11-carboxylate 162929590 Click to see CC1(CCC2(CCC3(C(C2C1)C4C(O4)C5C3(CCC6C5(CCC(C6(C)C)O)C)C)C)C(=O)OC)C 486.70 unknown https://doi.org/10.1021/JA00398A034
methyl (4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 21594134 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)OC)C 486.70 unknown https://doi.org/10.1021/JA00398A034
Methyl 2,3-dihydroxyurs-12-en-28-oate 621722 Click to see 486.70 unknown https://doi.org/10.1039/C39800001275
Methyl 20-hydroxy-8,8,14,15,19,19,23-heptamethyl-3-oxahexacyclo[13.8.0.02,4.05,14.06,11.018,23]tricosane-11-carboxylate 162929589 Click to see 486.70 unknown https://doi.org/10.1021/JA00398A034
Methyl 3-hydroxyolean-12-en-28-oate 122541 Click to see 470.70 unknown https://doi.org/10.1021/JA00398A034
Methyl corosolate 14109751 Click to see 486.70 unknown https://doi.org/10.1039/C39800001275
Methyl Oleanolate 92900 Click to see 470.70 unknown https://doi.org/10.1021/JA00398A034
Methyl Ursolate 636516 Click to see 470.70 unknown https://doi.org/10.1021/JA00398A034
Oleanderolide 11113483 Click to see CC1(CCC23CCC4(C5(CCC6C(C(CCC6(C5CC(C4(C2C1)OC3=O)O)C)O)(C)C)C)C)C 472.70 unknown via CMAUP database
Oleanoaldehyde 14423521 Click to see 440.70 unknown via CMAUP database
Oleanolic Acid 10494 Click to see 456.70 unknown https://doi.org/10.1039/C39860001141
https://doi.org/10.1016/S0031-9422(01)00245-X
https://doi.org/10.1246/NIKKASHI.1985.799
https://doi.org/10.1021/JA00214A013
https://doi.org/10.1007/S11094-015-1200-5
Ursolic acid methyl ester 621719 Click to see 470.70 unknown https://doi.org/10.1021/JA00398A034
Uvaol 92802 Click to see 442.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Hydroxysteroids / 17-hydroxysteroids
(1R,3S,3aR,5aR,5bR,7aR,9R,11bR,13aR,13bR)-3,9-dihydroxy-3a-(hydroxymethyl)-5a,5b,8,8-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-10-one 102063062 Click to see 456.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Hydroxysteroids / 21-hydroxysteroids
21-Hydroxypregna-4,6-Diene-3,12,20-Trione 16104852 Click to see 342.40 unknown via CMAUP database
Neridienone B 44418781 Click to see CC12CCC(=O)C=C1C=CC3C2CC(=O)C4(C3CCC4C(CO)O)C 344.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Oxosteroids / 20-oxosteroids
Neridienone A 100630 Click to see CC(=O)C1=CCC2C1(C(CC3C2C=CC4=CC(=O)CCC34C)O)C 326.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Pregnane steroids / Gluco/mineralocorticoids, progestogins and derivatives
16Beta,17beta-epoxy-12beta-hydroxypregna-4,6-diene-3,20-dione 16104853 Click to see 342.40 unknown via CMAUP database
20R-Hydroxypregna-4,6-Diene-3,12-Dione 16104854 Click to see 328.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid lactones
beta-Anhydroepidigitoxigenin 10784500 Click to see 356.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid lactones / Cardenolides and derivatives
(5alpha,7beta)-7,14-Dihydroxycard-20(22)-enolide 101630403 Click to see 374.50 unknown via CMAUP database
3-[(3S,5R,8R,9R,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one 11870451 Click to see 390.50 unknown via CMAUP database
Digitoxigenin 4369270 Click to see 374.50 unknown via CMAUP database
Gitoxigenin 348482 Click to see CC12CCC(CC1CCC3C2CCC4(C3(CC(C4C5=CC(=O)OC5)O)O)C)O 390.50 unknown via CMAUP database
Oleandrigenin 9802865 Click to see 432.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid lactones / Cardenolides and derivatives / Cardenolide glycosides and derivatives
(3beta,5beta)-3-((2,6-Dideoxy-3-O-methyl-beta-D-lyxo-hexopyranosyl)oxy)-8,14-epoxycard-20(22)-enolide 441840 Click to see 516.70 unknown via CMAUP database
[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4R,5S,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate 51351560 Click to see 738.90 unknown via CMAUP database
[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate 12304185 Click to see 576.70 unknown via CMAUP database
[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate 51351559 Click to see 738.90 unknown via CMAUP database
[(3S,5S,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4R,5S,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate 102484066 Click to see CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)OC7C(C(C(C(O7)CO)O)O)O 738.90 unknown via CMAUP database
[(3S,5S,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate 16756310 Click to see 576.70 unknown via CMAUP database
16beta-Acetoxy-3beta-[(3-O-methyl-4-O-beta-D-glucopyranosyl-6-deoxy-beta-D-galactopyranosyl)oxy]-14-hydroxy-5beta-carda-20(22)-enolide 101633449 Click to see CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)O)OC)OC7C(C(C(C(O7)CO)O)O)O 754.90 unknown via CMAUP database
16beta-Acetoxy-3beta-[(4-O-beta-D-glucopyranosyl-3-O-methyl-6-deoxy-beta-D-galactopyranosyl)oxy]-14beta-hydroxy-5alpha-card-20(22)-enolide 101632317 Click to see CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)O)OC)OC7C(C(C(C(O7)CO)O)O)O 754.90 unknown via CMAUP database
3-[(1R,3S,5S,7S,10S,11R,14R,15R,18R)-18-hydroxy-7-[(2R,4R,5S,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one 101482497 Click to see 856.90 unknown via CMAUP database
3-[(1R,3S,5S,7S,10S,11R,14R,15R,18R)-18-hydroxy-7-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one 46872930 Click to see 532.70 unknown via CMAUP database
3-[(1S,3R,5R,7S,8R,11R,12S,15S,17R)-15-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-8,12-dimethyl-2,6-dioxahexacyclo[9.8.0.01,3.03,8.05,7.012,17]nonadecan-7-yl]-2H-furan-5-one 16756312 Click to see 530.60 unknown via CMAUP database
3-[(1S,3R,6R,7R,10R,11S,14S,16R)-14-[(2R,4R,5S,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]-2H-furan-5-one 102484064 Click to see 678.80 unknown via CMAUP database
3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3-[(2R,4S,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one 122365792 Click to see 534.70 unknown via CMAUP database
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[(2R,4S,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one 16756311 Click to see 518.70 unknown via CMAUP database
3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one 11800467 Click to see 534.70 unknown via CMAUP database
3-[(3S,5S,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[(2R,3R,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one 101632315 Click to see 696.80 unknown via CMAUP database
3-[(3S,5S,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[(2R,4R,5S,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one 101632323 Click to see CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O 843.00 unknown via CMAUP database
3-[(3S,5S,8R,9S,10S,13R,14S,17R)-14-Hydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one 101600017 Click to see 518.70 unknown via CMAUP database
3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one 101632321 Click to see 534.70 unknown via CMAUP database
3beta-[(2,6-Dideoxy-3-O-methyl-4-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-14-hydroxy-5beta,14beta-card-20(22)-enolide 101634824 Click to see CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC)OC7C(C(C(C(O7)CO)O)O)O 680.80 unknown via CMAUP database
3beta-[(2,6-Dideoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyl)oxy]-14-hydroxy-5alpha,14beta-card-20(22)-enolide 101632322 Click to see CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC)OC7C(C(C(C(O7)CO)O)O)O 680.80 unknown via CMAUP database
3beta-[[4-O-(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)-2,6-dideoxy-3-O-methyl-beta-D-galactopyranosyl]oxy]-14-hydroxy-5beta,14beta-card-20(22)-enolide 101634825 Click to see CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O 843.00 unknown via CMAUP database
8-Hydroxyodoroside A 44425148 Click to see 534.70 unknown via CMAUP database
8,14-Epoxy-3beta-[(6-deoxy-3-O-methyl-4-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-5beta-card-20(22)-enolide 101633900 Click to see CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC45C3CCC6(C4(O5)CCC6C7=CC(=O)OC7)C)C)O)OC)OC8C(C(C(C(O8)CO)O)O)O 694.80 unknown via CMAUP database
Adynerigenin beta-neritrioside 91886678 Click to see 840.90 unknown via CMAUP database
Cardenolide B-1 46872929 Click to see CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC45C3CCC6(C4(O5)CCC6C7=CC(=O)OC7)C)C)O)OC)O 532.70 unknown via CMAUP database
CID 101633451 101633451 Click to see 534.70 unknown via CMAUP database
Cryptogranodoside A 44425149 Click to see CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O 576.70 unknown via CMAUP database
Desacetyloleandrin 76962086 Click to see CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)O)O)C)C)OC)O 534.70 unknown via CMAUP database
Digitalin 441856 Click to see CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)O)O)C)C)O)OC)OC7C(C(C(C(O7)CO)O)O)O 712.80 unknown via CMAUP database
Neritaloside 44566654 Click to see 592.70 unknown via CMAUP database
Odorobioside G 12313683 Click to see 696.80 unknown via CMAUP database
Odoroside A 44425145 Click to see 518.70 unknown via CMAUP database
Odoroside H 205840 Click to see CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O 534.70 unknown via CMAUP database
Oleandrin 11541511 Click to see CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O 576.70 unknown via CMAUP database
Strospeside 21636336 Click to see CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)O)O)C)C)O)OC)O 550.70 unknown via CMAUP database
Urechitoxin 171542 Click to see 738.90 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides
3-[(3S,5R,8R,9S,10S,13R,14S)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one 101632319 Click to see 532.70 unknown via CMAUP database
Narizoside 10816404 Click to see 546.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(-)-beta-Sitosterol 222284 Click to see 414.70 unknown https://doi.org/10.1016/0031-9422(89)80201-8
https://doi.org/10.1021/JA00398A034
https://doi.org/10.1039/C39800001275
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 86821 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 414.70 unknown https://doi.org/10.1039/C39860001139
https://doi.org/10.1016/0031-9422(89)80201-8
https://doi.org/10.1016/S0031-9422(01)00245-X
https://doi.org/10.1039/C39800001275
https://doi.org/10.1016/S0367-326X(03)00107-2
https://doi.org/10.1007/S11094-015-1200-5
https://doi.org/10.1021/JA00398A034
beta-Sitosterol 3-O-beta-D-galactopyranoside 296119 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C 576.80 unknown https://doi.org/10.1016/S0367-326X(03)00107-2
Fucostanol 6743 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)C 416.70 unknown https://doi.org/10.1021/JA00398A034
hexyl 4-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]benzoate 60168070 Click to see 617.00 unknown via CMAUP database
Sitogluside 5742590 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C 576.80 unknown https://doi.org/10.1016/S0367-326X(03)00107-2
https://doi.org/10.1246/NIKKASHI.1985.799
https://doi.org/10.1007/S11094-015-1200-5
Sitostanol 241572 Click to see 416.70 unknown https://doi.org/10.1021/JA00398A034
Stigmast-5-en-3-ol 22012 Click to see 414.70 unknown https://doi.org/10.1039/C39860001139
https://doi.org/10.1007/S11094-015-1200-5
https://doi.org/10.1016/0031-9422(89)80201-8
https://doi.org/10.1016/S0367-326X(03)00107-2
https://doi.org/10.1016/S0031-9422(01)00245-X
Stigmasterol 5280794 Click to see 412.70 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
Ethyl Acetate 8857 Click to see 88.11 unknown via CMAUP database
> Organic acids and derivatives / Keto acids and derivatives / Short-chain keto acids and derivatives
(R)-3-Hydroxy-2-oxobutanoicacid 15284009 Click to see CC(C(=O)C(=O)O)O 118.09 unknown via CMAUP database
4-Hydroxy-2-oxobutanoic acid 11963036 Click to see 118.09 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
3-{[3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid 348159 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 https://doi.org/10.1271/BBB.59.1780
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 https://doi.org/10.1271/BBB.59.1780
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols
(S)-2-methyl-1-butanol 2723602 Click to see 88.15 unknown via CMAUP database
1-Butanol 263 Click to see 74.12 unknown via CMAUP database
Isoamyl alcohol 31260 Click to see CC(C)CCO 88.15 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
(+)-2-Pentanol 2724896 Click to see 88.15 unknown via CMAUP database
3-Methyl-3-buten-2-ol, (R)- 10678185 Click to see 86.13 unknown via CMAUP database
3-Pentanol 11428 Click to see CCC(CC)O 88.15 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
3-[(1R,2S,4R,6S,9S,10R,13R,14R)-2-hydroxy-6-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13-dimethyl-17-oxo-14-tetracyclo[11.3.1.01,10.04,9]heptadecanyl]-2H-furan-5-one 76285478 Click to see CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC4(C5=O)C(CC3C2)O)C6=CC(=O)OC6)C)C)OC)O 532.70 unknown via CMAUP database
3-[(1S,3R,7R,10R,11S,14S,16R)-14-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadec-5-en-6-yl]-2H-furan-5-one 44425147 Click to see 514.60 unknown via CMAUP database
Carenolide N-2 16756207 Click to see CC1C(C(CC(O1)OC2CCC3(C(C2)CCC45C3CCC6(C4(O5)CC=C6C7=CC(=O)OC7)C)C)OC)O 514.60 unknown via CMAUP database
Dehydroadynerigenin beta-neritrioside 102004568 Click to see 838.90 unknown via CMAUP database
Dehydroadynerigenin digitaloside 101633902 Click to see 530.60 unknown via CMAUP database
Dehydroadynerigenin glucosyldigitaloside 92023995 Click to see 692.80 unknown via CMAUP database
Salidroside 159278 Click to see 300.30 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-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 5315597 Click to see 434.40 unknown via CMAUP database
6-O-Acetylarbutin 5315513 Click to see 314.29 unknown via CMAUP database
Glc(b1-6)Glc(b)-O-Ph(4-OH) 11968602 Click to see 434.40 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes
Pentanal 8063 Click to see 86.13 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
(2E,4Z)-Heptadienal 11788274 Click to see 110.15 unknown via CMAUP database
(2E)-Decenal 5283345 Click to see 154.25 unknown via CMAUP database
2-Heptenal 5283316 Click to see 112.17 unknown via CMAUP database
2-Nonenal 5283335 Click to see CCCCCCC=CC=O 140.22 unknown via CMAUP database
2,4-Decadienal 5283349 Click to see 152.23 unknown via CMAUP database
2,4-Heptadienal 5283321 Click to see CCC=CC=CC=O 110.15 unknown via CMAUP database
Decanal 8175 Click to see 156.26 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
Nonanal 31289 Click to see CCCCCCCCC=O 142.24 unknown via CMAUP database
Octanal 454 Click to see 128.21 unknown via CMAUP database
trans-2,cis-6-Nonadienal 643731 Click to see 138.21 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
2-Octadecanone 81844 Click to see CCCCCCCCCCCCCCCCC(=O)C 268.50 unknown via CMAUP database
6-Methyl-5-hepten-2-one 9862 Click to see 126.20 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones / Alpha-diketones
Butanedione 650 Click to see 86.09 unknown via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Carbazoles
Eustifoline C 14635307 Click to see CC1=CC2=C(C=C1)NC3=C2C(=C(C=C3)O)CC=C(C)CCC=C(C)C 333.50 unknown https://doi.org/10.1021/NP0705965
> Organoheterocyclic compounds / Isoindoles and derivatives / Isoindolines / Isoindolones
(1R,4E,6R,10R,12E,14S,17S,18S,19S)-19-benzyl-6-hydroxy-10,16,17-trimethyl-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12,15-triene-3,21-dione 51340743 Click to see 463.60 unknown via CMAUP database
Cytochalasin Z2 76322839 Click to see CC1CCCC(C=CC(=O)OC23C(C=CC1)C=C(C(C2C(NC3=O)CC4=CC=CC=C4)C)CO)O 479.60 unknown via CMAUP database
Deoxaphomin 76333666 Click to see CC1CCCC(C=CC(=O)C23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O)O 463.60 unknown via CMAUP database
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
(1S,4S,5R,8R,10S,13R,14R,17S,20R)-10-hydroxy-4-(hydroxymethyl)-5,9,9,13,19,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-18-en-23-one 102062194 Click to see CC1CCC23CCC4(C5(CCC6C(C(CCC6(C5CCC4(C2=C1C)OC3=O)C)O)(C)C)C)CO 470.70 unknown via CMAUP database
> Organoheterocyclic compounds / Naphthopyrans
[9-(Acetyloxymethyl)-11-hydroxy-7,7-dimethyl-14-methylidene-2,15-dioxo-5-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-8-yl]methyl acetate 5320878 Click to see 448.50 unknown https://doi.org/10.1016/0031-9422(90)85141-2
> Organoheterocyclic compounds / Oxepanes
3-[(1S,3R,7R,10R,11S,14S,16R)-14-hydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadec-5-en-6-yl]-2H-furan-5-one 101713198 Click to see 370.50 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acid esters / O-cinnamoyl glycosides
1-O-trans-Cinnamoyl-beta-D-glucopyranose 5280653 Click to see C1=CC=C(C=C1)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O 310.30 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acids
2-Propenoic acid, 3-phenyl- 8784 Click to see 148.16 unknown https://doi.org/10.1271/BBB.59.1780
Cinnamic acid 444539 Click to see C1=CC=C(C=C1)C=CC(=O)O 148.16 unknown https://doi.org/10.1271/BBB.59.1780
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
3-(3,4-Dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid 5099 Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 360.30 unknown https://doi.org/10.1002/PTR.2373
Hexacosyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 20980932 Click to see 558.90 unknown https://doi.org/10.1246/NIKKASHI.1985.799
Rosmarinic Acid 5281792 Click to see 360.30 unknown https://doi.org/10.1246/NIKKASHI.1985.1513
https://doi.org/10.1002/PTR.2373
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid 2518 Click to see 180.16 unknown https://doi.org/10.1271/BBB.59.1780
3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoic Acid 709 Click to see 194.18 unknown https://doi.org/10.1271/BBB.59.1780
Caffeic Acid 689043 Click to see 180.16 unknown https://doi.org/10.1271/BBB.59.1780
Ferulic Acid 445858 Click to see 194.18 unknown https://doi.org/10.1271/BBB.59.1780
Sinapic acid 10743 Click to see 224.21 unknown https://doi.org/10.1271/BBB.59.1780
Sinapinic acid 637775 Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O 224.21 unknown https://doi.org/10.1271/BBB.59.1780
> Phenylpropanoids and polyketides / Coumarins and derivatives / Coumarin glycosides
Scopolin 439514 Click to see COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O 354.31 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
3,3'-Digalloylprocyanidin B2 124016 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O 882.70 unknown via CMAUP database
Cinnamtannin B1 475277 Click to see 864.80 unknown via CMAUP database
Cinnamtannin B2 16130973 Click to see 1153.00 unknown via CMAUP database
Cinnamtannin D1 46173958 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC5=C4C6C(C(O5)(OC7=CC(=CC(=C67)O)O)C8=CC(=C(C=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O 864.80 unknown via CMAUP database
Epicatechin-(4beta->8)-epicatechin-(2beta->7,4beta->8)-catechin 10350652 Click to see 864.80 unknown via CMAUP database
Proanthocyanidin A1 9872976 Click to see 576.50 unknown via CMAUP database
Procyanidin A2 124025 Click to see C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O 576.50 unknown via CMAUP database
Procyanidin B1 11250133 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown via CMAUP database
Procyanidin B3 146798 Click to see 578.50 unknown via CMAUP database
Procyanidin B6 474540 Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown via CMAUP database
Procyanidin B7 13990893 Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown via CMAUP database
Procyanidin B8 474541 Click to see 578.50 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 1203 Click to see 290.27 unknown https://doi.org/10.1271/BBB.59.1780
Catechin 9064 Click to see 290.27 unknown https://doi.org/10.1271/BBB.59.1780
Epicatechin 72276 Click to see 290.27 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Kaempferol 5280863 Click to see 286.24 unknown via CMAUP database
Quercetin 5280343 Click to see 302.23 unknown https://doi.org/10.1002/PTR.2373
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-7-O-glucuronides
Luteolin 7-glucuronide 5280601 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O 462.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one 51402807 Click to see 464.40 unknown https://doi.org/10.1246/NIKKASHI.1985.1513
2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-((2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-yl)Oxy-Chromen-4-one 12304323 Click to see 464.40 unknown via CMAUP database
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one 11972444 Click to see 448.40 unknown via CMAUP database
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one 26202188 Click to see 434.30 unknown via CMAUP database
Avicularin 5490064 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)O 434.30 unknown via CMAUP database
Cacticin 5318644 Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O 478.40 unknown via CMAUP database
Guaijaverin 5481224 Click to see 434.30 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
Isoquercitin 10813969 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
Kaempferol-3-O-Rutinoside 5318767 Click to see 594.50 unknown via CMAUP database
Quercetin 3-O-beta-D-xylopyranoside 5320861 Click to see C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O 434.30 unknown via CMAUP database
Quercetin-3-o-alpha-d-arabinofuranoside 11968848 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)O 434.30 unknown via CMAUP database
Quercitrin 5280459 Click to see 448.40 unknown via CMAUP database
Rutin 5280805 Click to see 610.50 unknown https://doi.org/10.1246/NIKKASHI.1985.1513
https://doi.org/10.1007/S11094-015-1200-5
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 4-O-methylated flavonoids
Diosmetin 5281612 Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O 300.26 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
Cirsiliol 160237 Click to see COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)OC 330.29 unknown https://doi.org/10.1055/S-2002-32080
Pedalitin 31161 Click to see 316.26 unknown https://doi.org/10.1246/NIKKASHI.1985.1513
https://doi.org/10.1002/PTR.2373
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavonoid C-glycosides
6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-3-(2,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one 162982234 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C4=C(C=C3O)OC=C(C4=O)C5=C(C=C(C=C5)O)O)O)CO)O)O)O)O)O 594.50 unknown https://doi.org/10.1016/S0040-4020(01)97055-3
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids / 4-O-methylisoflavones
7-(6,7-Dihydroxy-3,7-dimethyloct-2-enoxy)-3-(4-methoxyphenyl)chromen-4-one 162994344 Click to see 438.50 unknown https://doi.org/10.1016/S0031-9422(00)98002-6
https://doi.org/10.1248/CPB.36.3223

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