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Gardenia jasminoides

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 UUID64403cb839162286667855
Scientific name Gardenia jasminoides
Authority J.Ellis
First published in Philos. Trans. 51(2): 935 (1761)

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.

Gardenia jasminoides, known as Cape jasmine or Chinese gardenia, has a long history of use in East Asian traditional medicine. In Chinese medicine the dried fruit, called “Zhi Zi,” is brewed as a decoction to clear heat, resolve phlegm, and soothe sore throats; the leaves are similarly steeped for cough and bronchial irritation (Li et al., 2015). Korean practitioners use a tea made from the fruit to treat sore throats and to reduce inflammation of the upper respiratory tract (Kim et al., 2018). In Vietnamese folk medicine, a decoction of the fruit is taken to relieve fever and to calm the nervous system, especially during the rainy season (Nguyen et al., 2019). In all three traditions the preparation involves infusing the dried plant material in hot water, sometimes with the addition of honey or ginger to enhance flavor and therapeutic effect.

A simple, safe recipe for a mild Gardenia jasminoides tea is as follows: take 5 g of dried fruit (or 3 g of dried leaves if fruit is unavailable), place it in a cup, pour 200 ml of boiling water, cover, and steep for 10 minutes. Strain the liquid and drink one cup in the morning and one in the evening. This dosage is well within the limits used in traditional practice and is unlikely to cause adverse effects in healthy adults. However, because Gardenia contains compounds that can irritate the gastrointestinal tract at high doses, it is advisable to limit intake to 2 cups per day. Pregnant or nursing women should consult a healthcare professional before using this tea, as the safety of Gardenia jasminoides during pregnancy has not been fully established.

The therapeutic actions of Gardenia jasminoides are largely attributed to its well‑studied phytochemicals. The fruit is rich in crocin, a carotenoid responsible for its bright yellow color and known for antioxidant and anti‑inflammatory properties. Geniposide, an iridoid glycoside, has been shown to modulate inflammatory pathways and to protect liver cells. Other constituents such as gardenin, gardenoside, and various flavonoids contribute to the plant’s overall anti‑oxidant capacity and may help soothe mucous membranes. These compounds provide a biochemical basis for the traditional uses of the plant in treating cough, sore throat, and fever.

Today, Gardenia jasminoides remains a popular ingredient in herbal teas and natural health products, and it continues to attract scientific interest. Recent studies are exploring its potential as a natural anti‑inflammatory agent and as a source of novel antioxidants for nutraceutical applications. The plant’s enduring presence in both traditional practice and modern research underscores its value as a bridge between ancient wisdom and contemporary science.

General Uses Top

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Fragrance and cosmetics:
- Essential oil extracted from the flowers of Gardenia jasminoides by steam distillation or solvent extraction is used as a fragrance ingredient in perfumes, soaps, lotions, and other cosmetic products. The oil is valued for its sweet, floral aroma reminiscent of jasmine and is blended with other floral and citrus notes in fragrance formulations.

Properties relevant to use:
- The essential oil contains high concentrations of linalool (≈30–40%) and benzyl acetate (≈10–20%), along with other aromatic alcohols and esters that contribute to its characteristic scent. The oil has a low viscosity (≈0.5–1.0 cP at 25 °C) and moderate volatility, making it suitable for use in volatile fragrance blends. It is soluble in ethanol and other organic solvents, facilitating its incorporation into cosmetic formulations.

Standards and regulation:
- In the European Union, the use of Gardenia jasminoides essential oil as a cosmetic ingredient is regulated under the Cosmetics Regulation (EC) No 1223/2009, which requires safety assessment and labeling. In the United States, the oil is classified as a fragrance ingredient under the Federal Food, Drug, and Cosmetic Act and is subject to the Cosmetic Ingredient Review (CIR) database for safety evaluation. The oil must comply with Good Manufacturing Practice (GMP) guidelines for cosmetic ingredients.

Sustainability and sourcing:
- Gardenia jasminoides is cultivated in temperate regions of East Asia, primarily in China, Japan, and Korea. Commercial cultivation for essential oil production is typically conducted on small to medium-sized farms, with harvesting of flowers during peak bloom. Sustainable sourcing practices include responsible harvesting to avoid overexploitation, maintaining biodiversity, and ensuring that cultivation does not compete with food production. Certification schemes such as the Global Organic Textile Standard (GOTS) and the International Organization for Standardization (ISO) 14001 for environmental management can be applied to the cultivation and processing of Gardenia jasminoides for essential oil production.

Synonyms Top

Scientific name Authority First published in
Mussaenda chinensis Lour. Fl. Cochinch. : 152 (1790)
Gardenia jasminoides var. plana (Voigt) M.R.Almeida Fl. Maharashtra 3A: 15 (2001).
Gardenia florida f. simpliciflora Makino Bot. Mag. (Tokyo) 26: 395 1912
Gardenia florida var. ovalifolia Sims Bot. Mag. 53: t. 2627. 1826
Gardenia jasminoides f. albomarginata H.Hara Enum. Sperm. Jap. 2: 14 1952
Gardenia jasminoides f. grandiflora (Lour.) Makino Ill. Fl. Jap. ed. rev.: 117 1949
Gardenia florida var. grandiflora (Lour.) Franch. & Sav. Enum. Pl. Jap. 1: 208. 1875
Gardenia augusta var. grandiflora (Lour.) Sasaki List Pl. Formosa 380. 1928
Gardenia jasminoides f. maruba (Siebold ex Blume) Nakai ex Ishii Engei-daijiten 2: 690 1950
Gardenia jasminoides var. maruba (Siebold ex Blume) Nakai Trees Shrubs Japan ed. rev.: 520. 1927
Gardenia florida var. maruba (Siebold ex Blume) Matsum. Bot. Mag. (Tokyo) 15: 4. 1901
Gardenia jasminoides f. oblanceolata (Nakai) Nakai Trees Shrubs Japan ed. rev.: 520 1927
Gardenia florida f. oblanceolata Nakai Trees Shrubs Japan 387 1922
Gardenia jasminoides f. ovalifolia (Sims) H.Hara Enum. Sperm. Jap. 2: 15 1952
Gardenia jasminoides var. ovalifolia (Sims) Nakai Trees Shrubs Japan ed. rev.: 520 1927
Gardenia augusta var. ovalifolia (Sims) Sasaki List Pl. Formos. 380 1928
Gardenia jasminoides f. aureovariegata Nakai Trees Shrubs Japan ed. rev.: 520 1927
Gardenia jasminoides f. variegata (Carrière) Nakai Trees Shrubs Japan ed. rev.: 519 1927
Gardenia jasminoides var. fortuneana (Lindl.) H.Hara Enum. Sperm. Jap. 2: 15 1952
Gardenia florida var. fortuneana Lindl. Edwards's Bot. Reg. 32: t. 43. 1846
Gardenia jasminoides var. longisepala (Masam.) Metcalf Lingnan Sci. J. 12(4): 594 1933
Gardenia jasminoides var. radicans (Thunb.) Makino Ill. Fl. Nippon 118. 1940
Gardenia florida var. radicans (Thunb.) Matsum. Bot. Mag. (Tokyo) 15: 4. 1901
Gardenia jasminoides var. variegata (Carrière) Makino Engei-daijiten 2: 690 1950
Gardenia jasminoides f. albovariegata H.Hara Enum. Sperm. Jap. 2: 16 1952
Gardenia jasminoides f. simpliciflora (Makino) Makino Ill. Fl. Nippon 118 1940
Gardenia radicans var. simpliciflora (Makino) Nakai Trees Shrubs Japan 390 1922
Jasminum capense Mill. Gard. Dict. ed. 8 : n.º 7 (1768)
Gardenia angustifolia var. kosyunensis (Sasaki) Masam. Short Fl. Formos. 202 1936
Gardenia augusta var. kosyunensis Sasaki Trans. Nat. Hist. Soc. Formosa 18: 217. 1928
Gardenia angustifolia G.Lodd. Bot. Cab. 6: t. 512 (1821)
Gardenia augusta var. longisepala Masam. J. Soc. Trop. Agric. 4: 195. 1932
Gardenia florida var. plena Voigt Hort. Suburb. Calcutt. 378. 1845
Gardenia grandiflora Lour. Fl. Cochinch. : 147 (1790)
Gardenia jasminoides var. grandiflora (Lour.) Nakai Trees Shrubs Japan ed. rev.: 518. 1927
Gardenia jasminoides f. longicarpa Z.W.Xie & M.Okada J. Jap. Bot. 65: 123 (1990)
Gardenia longisepala (Masam.) Masam. Mem. Fac. Sci. Taihoku Imp. Univ. 11(4): 417 (1934)
Gardenia maruba Siebold in Blume, Bijdr. 1015.
Gardenia pictorum Hassk. Flora 28: 234 (1845)
Gardenia radicans Thunb. Gardenia : 11 (1780)
Genipa florida Baill. Hist. Pl. 7: 307, 379 (1880)
Genipa grandiflora Baill. Hist. Pl. 7: 374 (1880)
Genipa radicans Baill. Hist. Pl. 7: 379 (1880)
Warneria augusta L. Amoen. Acad. 4: 136, 138 (1759)
Gardenia augusta Merr. Interpr. Herb. Amboin. : 485 (1917)
Gardenia florida L. Sp. Pl., ed. 2. : 305 (1762)
Gardenia grandiflora Siebold ex Zucc. Fl. Jap. Fam. Nat. 2: 55 (1846)
Gardenia schlechteri H.Lév. Repert. Spec. Nov. Regni Veg. 10: 146 (1911)
Gardenia augusta f. shanpinensis F.C.Ho Trop. Pl. Taiwan 3: 289, 355 (1982)
Gardenia jasminoides f. kueishanensis F.C.Ho Trop. Pl. Taiwan 3: 294, 355 (1982)
Gardenia jasminoides var. plena (Voigt) M.R.Almeida Fl. Maharashtra 3A: 15 (2001)
Gardenia florida unranked variegata Carrière Rev. Hort. (Paris) 41: 370 (1869)
Gardenia florida f. thunbergii Makino Bot. Mag. (Tokyo) 26: 395 (1912)
Gardenia radicans unranked variegata Carrière Rev. Hort. (Paris) 1864: 31 (1864)
Gardenia jasminoides var. kosyunensis (Sasaki) Masam. Short Fl. Formosa 18: 217 (1928)

Common names Top

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Language Common/alternative name
English cape jasmine
Arabic غاردينيا ياسمينية
Arabic غردينية ياسمينية
Assamese তগৰ
Azerbaijani jasminəbənzər qardeniya
ban jempiring
Bulgarian жасминова гардения
Bengali গন্ধরাজ
Czech gardénie jasmínovitá
German gardenie
dty इन्द्रकमल
Persian گاردنیا
Finnish keikarinkukka
Finnish kiinangardenia
Gujarati અનંત વૃક્ષ
Gujarati અનંત
Hindi अनंत वृक्ष
Indonesian kacapiring
Indonesian kaca piring
Japanese 巵子
Japanese 山梔子
Japanese 山梔
Japanese サンシシ
Japanese くちなし
Japanese クチナシ
Japanese 支子
Japanese 梔子
jv ceplok piring
Korean 치자
Korean 치자나무
lzh 梔子
Malayalam ഗന്ധരാജൻ
mnc ᠴᠣᠮᠠᡵᡳ ᡳᠯᡥᠠ
Marathi अनंत
Malay pokok kacapiring wangi
Burmese ဇီဇဝါ
Nepali इन्द्रकमल
Dutch kaapse jasmijn
Dutch gardenia augusta
Oriya ଗନ୍ଧରାଜ
Oriya ସୁଗନ୍ଧରାଜ
Portuguese gardénia
Portuguese gardênia
pwn tjava
Russian Гардения укореняющаяся
Russian гардения жасминовидная
shn မွၵ်ႇၸေႇတဝႃႇ
su kacapiring
Tamil கும்பிலி
Thai พุดซ้อน
Tonga siale matalateau
ty taina
Vietnamese chi tử
Vietnamese mác làng cương
Vietnamese thuỷ hoàng chi
Vietnamese dành dành
Vietnamese gardenia augusta
Chinese 黄枝子
Chinese 山栀子
Chinese 木丹
Chinese 黄栀子
Chinese 梔子
Chinese 梔子花
Chinese 黄果子
Chinese 黄叶下
Chinese 越桃
Chinese 水横枝
Chinese 水栀子
Chinese 林兰
Chinese 山黃梔
Chinese 山黄栀
Chinese 山黄枝
Chinese 山栀
Chinese 黄栀
Chinese 栀子花
Chinese 栀子根
Chinese 栀子叶
Chinese 栀子

Subspecies (abbr. subsp./ssp.) Top

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Varieties (abbr. var.) Top

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Subvarieties (abbr. subvar.) Top

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Forms (abbr. f.) Top

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No forms added yet.

Germination/Propagation Top

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No germination or propagation data was added yet.

Distribution (via POWO/KEW) Top

Legend for the distribution data:
- Doubtful data
- Extinct
- Introduced
- Native
  • Asia-temperate
    • China
      • China North-central
      • China South-central
      • China Southeast
      • Hainan
    • Eastern Asia
      • Korea
      • Taiwan
  • Asia-tropical
    • Indian Subcontinent
      • Bangladesh
      • East Himalaya
    • Indo-China
      • Cambodia
      • Laos
      • Thailand
      • Vietnam
  • Pacific
    • Northwestern Pacific
      • Caroline Islands
      • Marianas
      • Marshall Islands
    • South-central Pacific
      • Society Islands
      • Tubuai Islands

Links to other databases Top

Suggest others/fix!
Database ID/link to page
World Flora Online wfo-0000970976
UNII 0PK353KHF0
Flora of Alabama 5506
USDA Plants GAJA
Tropicos 27902826
INPN 447488
KEW urn:lsid:ipni.org:names:751073-1
The Plant List kew-88270
Missouri Botanical Garden 286686
Open Tree Of Life 919367
NCBI Taxonomy 114476
IPNI 751073-1
iNaturalist 210990
GBIF 5335125
Freebase /m/027nbz3
EPPO GADJA
EOL 1102886
USDA GRIN 70315
Wikipedia Gardenia_jasminoides
CMAUP NPO9518
Plantarium 46309

Genomes (via NCBI) Top

Below is displayed the reference genome only!
If you wish to browse all genomes for this plant click here.
Accession Assembly
Name Level Submitter Released Coverage Size
GCA_055801695.1 ASM5580169v1 Complete Genome Beijing Bio Huaxing Gene Technology Co., Ltd. 2026-03-11 47 519.35 Mb

Scientific Literature Top

Below are displayed the latest 15 articles published in PMC (PubMed Central®) and other sources (DOI number only)!
If you wish to see all the related articles click here.
Title Authors Publication Released IDs
Metabolomic and transcriptomic analyses of yellow-flowered crocuses to infer alternative sources of saffron metabolites Nemati Z, Kazemi-Shahandashti SS, Garibay-Hernández A, Mock HP, Schmidt MH, Usadel B, Blattner FR BMC Plant Biol 07-May-2024
PMCID:PMC11075242
doi:10.1186/s12870-024-05036-1
PMID:38711012
Unleashing the promise of emerging nanomaterials as a sustainable platform to mitigate antimicrobial resistance Rahman S, Sadaf S, Hoque ME, Mishra A, Mubarak NM, Malafaia G, Singh J RSC Adv 01-May-2024
PMCID:PMC11062400
doi:10.1039/d3ra05816f
PMID:38694553
The Inhibition of TREK-1 K+ Channels via Multiple Compounds Contained in the Six Kamikihito Components, Potentially Stimulating Oxytocin Neuron Pathways Miyano K, Nonaka M, Sakamoto M, Murofushi M, Yoshida Y, Komura K, Ohbuchi K, Higami Y, Fujii H, Uezono Y Int J Mol Sci 30-Apr-2024
PMCID:PMC11084865
doi:10.3390/ijms25094907
PMID:38732124
Traditional Japanese medicine Kamikihito ameliorates sucrose preference, chronic inflammation and obesity induced by a high fat diet in middle-aged mice Maejima Y, Yokota S, Yamachi M, Misaka S, Ono T, Oizumi H, Mizuno K, Hidema S, Nishimori K, Aoyama M, de Wet H, Shimomura K Front Endocrinol (Lausanne) 29-Apr-2024
PMCID:PMC11089234
doi:10.3389/fendo.2024.1387964
PMID:38742193
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
Article biodiversity inside bottles: animals, fungi, and plants in traditional alcoholic drinks Juárez-Aragón MC, Moreno-Ramírez YD, Torres-Acosta RI, Torres-Castillo JA Front Nutr 19-Apr-2024
PMCID:PMC11073491
doi:10.3389/fnut.2024.1368110
PMID:38711529
Active metabolites combination therapies: towards the next paradigm for more efficient and more scientific Chinese medicine Gao Q, Wu H, Chen M, Gu X, Wu Q, Xie T, Sui X Front Pharmacol 18-Apr-2024
PMCID:PMC11063311
doi:10.3389/fphar.2024.1392196
PMID:38698817
Dietary supplementation of Chinese herbal medicines enhances the immune response and resistance of rainbow trout (Oncorhynchus mykiss) to infectious hematopoietic necrosis virus Wang Q, Pan Y, Huang J, Li Y, Wu S, Zhao L, Sun T, Kang Y, Liu Z Front Vet Sci 17-Apr-2024
PMCID:PMC11062137
doi:10.3389/fvets.2024.1341920
PMID:38694480
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
Rapid Characterization of Undeclared Pharmaceuticals in Herbal Preparations by Ambient Ionization Mass Spectrometry for Emergency Care Lee CW, Su H, Hsu YW, Su LZ, Wu YH, Hou CY, Shih SY, Shiea J J Am Soc Mass Spectrom 15-Apr-2024
PMCID:PMC11066970
doi:10.1021/jasms.4c00016
PMID:38616559
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
Huanglian Jiedu decoction alleviates neurobehavioral damage in mice with chronic alcohol exposure through the RAS-RAF-MEK-ERK pathway Chen Y, Jiang L, Li M, Shen Y, Liu S, Yang D Heliyon 12-Apr-2024
PMCID:PMC11033144
doi:10.1016/j.heliyon.2024.e29556
PMID:38644875
Huang Lian Jie Du Decoction enhances the anti-tumor efficacy of immune checkpoint inhibitors by activating TLR7/8 signalling in melanoma Liu S, Zhang Y, Zhu X, He S, Liu X, Lv X, Zuo F, Wu J BMC Complement Med Ther 11-Apr-2024
PMCID:PMC11007990
doi:10.1186/s12906-024-04444-y
PMID:38605368
Geniposide and Harpagoside Functionalized Cerium Oxide Nanoparticles as a Potential Neuroprotective Pérez Gutiérrez RM, Rodríguez-Serrano LM, Laguna-Chimal JF, de la Luz Corea M, Paredes Carrera SP, Téllez Gomez J Int J Mol Sci 11-Apr-2024
PMCID:PMC11049985
doi:10.3390/ijms25084262
PMID:38673848
Compound Shenma Jingfu granule alleviates cerebral ischemia via HIF-1α-mediated promotion of angiogenesis He R, Xu Y, Liu J, Liu J, Chen J, Wang X, Qiu L, Huang J Chin Med 10-Apr-2024
PMCID:PMC11005288
doi:10.1186/s13020-024-00926-w
PMID:38600597

Phytochemical Profile Top

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Below are displayed the proven (via scientific papers) natural compounds!
You can also contribute to this by clicking here.
Name PubChem ID Canonical SMILES MW Found in Proof
> Benzenoids / Anthracenes / Anthraquinones / Hydroxyanthraquinones
6,1'-O,O-dimethylaverantin 60199901 Click to see CCCCCC(C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)OC)O)OC 400.40 unknown https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
1,2-Benzenedi(carboxylic-14C)acid, dibutyl ester 171810 Click to see CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC 282.33 unknown via CMAUP database
Dibutyl Phthalate 3026 Click to see 278.34 unknown via CMAUP database
Diisobutyl phthalate 6782 Click to see 278.34 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
2,5-Dihydroxybenzoic acid 3469 Click to see 154.12 unknown via CMAUP database
3,4-Dihydroxybenzoate 54675866 Click to see C1=CC(=C(C=C1C(=O)O)O)[O-] 153.11 unknown via CMAUP database
Protocatechuic Acid 72 Click to see 154.12 unknown https://doi.org/10.1021/NP050447R
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
4-Hydroxy-3,5-dimethoxybenzoate 54694262 Click to see COC1=CC(=CC(=C1[O-])OC)C(=O)O 197.16 unknown via CMAUP database
Syringic Acid 10742 Click to see 198.17 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 via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
Vanillate 54675858 Click to see 167.14 unknown via CMAUP database
Vanillic Acid 8468 Click to see COC1=C(C=CC(=C1)C(=O)O)O 168.15 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / P-methoxybenzoic acids and derivatives
3,4-Dimethoxybenzoic acid 7121 Click to see COC1=C(C=C(C=C1)C(=O)O)OC 182.17 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
2,5-Dimethylbenzaldehyde 22015 Click to see 134.17 unknown via CMAUP database
4-Methoxybenzaldehyde 31244 Click to see 136.15 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzyl alcohols
Benzyl Alcohol 244 Click to see 108.14 unknown https://doi.org/10.1271/BBB.57.1101
Salicyl alcohol 5146 Click to see C1=CC=C(C(=C1)CO)O 124.14 unknown https://doi.org/10.1055/S-2007-969419
> Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids
4-[[Hydroxy-[(4-hydroxyphenyl)methyl]amino]methyl]phenol 5317532 Click to see 245.27 unknown via CMAUP database
> Benzenoids / Phenols / Benzenediols / Catechols
Urushiol III 5281862 Click to see CCCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)O 316.50 unknown via CMAUP database
> Benzenoids / Phenols / Benzenetriols and derivatives / Hydroxyquinols and derivatives
1,2,4-Benzenetriol 10787 Click to see 126.11 unknown via CMAUP database
> Benzenoids / Phenols / Methoxyphenols
3,4,5-Trimethoxyphenol 69505 Click to see 184.19 unknown via CMAUP database
Syringaldehyde 8655 Click to see COC1=CC(=CC(=C1O)OC)C=O 182.17 unknown via CMAUP database
> Benzenoids / Phenols / Tyrosols and derivatives / Tyrosols
Tyrosol 10393 Click to see 138.16 unknown via CMAUP database
> Homogeneous metal compounds / Homogeneous transition metal compounds
Chromium(6+) 29131 Click to see 52.00 unknown via CMAUP database
Copper 23978 Click to see [Cu] 63.55 unknown via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Heptadecane 12398 Click to see CCCCCCCCCCCCCCCCC 240.50 unknown via CMAUP database
Nonacosane 12409 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCC 408.80 unknown via CMAUP database
Pentadecane 12391 Click to see 212.41 unknown via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes / Branched alkanes
Isooctadecane 15265 Click to see 254.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6271100/
> Lignans, neolignans and related compounds / Furanoid lignans
4-[(3S,3aR,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol 332425 Click to see 388.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Eicosanoids / Prostaglandins and related compounds
Picrodendrin A 11969880 Click to see CC(C)C1(C2C(C3(C4(CC(=C(CO)OC)C(=O)O4)C5C(C3(C1C(=O)O2)O)O5)C)OC)O 440.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
[(2S,5S,6R,7S,9S,11R,13S)-9,11-dihydroxy-13-(methoxymethyl)-5,9,13-trimethyl-4-oxo-3,12-dioxatricyclo[8.3.0.02,6]tridec-1(10)-en-7-yl] (Z)-2-methylbut-2-enoate 102321417 Click to see 410.50 unknown via CMAUP database
[(3S,3aR,4S,6S,7S,9R,9bS)-6,7,9-trihydroxy-3,6,9-trimethyl-2-oxo-3a,4,5,7,8,9b-hexahydro-3H-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate 643640 Click to see 380.40 unknown via CMAUP database
[(3S,3aR,4S,6S,9bS)-6-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate 101672241 Click to see 346.40 unknown via CMAUP database
[(3S,3aR,4S,6S,9bS)-6-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate 101078309 Click to see 346.40 unknown via CMAUP database
[(3S,3aR,4S,6S,9R,9bS)-6,9-dihydroxy-3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate 15922700 Click to see 378.40 unknown via CMAUP database
[(3S,3aR,4S,6S,9R,9bS)-6,9-dihydroxy-3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate 101143220 Click to see 378.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
Myristic Acid 11005 Click to see 228.37 unknown via CMAUP database
Octadecanoic 1-14C acid 164708 Click to see CCCCCCCCCCCCCCCCCC(=O)O 286.50 unknown via CMAUP database
Palmitic Acid 985 Click to see 256.42 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
(3E,9E)-undeca-3,9-dienoic acid 52914864 Click to see CC=CCCCCC=CCC(=O)O 182.26 unknown via CMAUP database
Hexanoic Acid 8892 Click to see 116.16 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
(2R,3R,4S,5S,6R)-2-[(1Z)-2,6-dimethylhepta-1,5-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol 162925122 Click to see 434.50 unknown https://doi.org/10.1002/HLCA.200900291
(4R)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxycyclohexene-1-carboxylic acid 95790309 Click to see CC1=C(C(CC(C1)OC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C(=C3)OC)O)OC)O)O)O)(C)C)C(=O)O 552.60 unknown https://doi.org/10.1002/HLCA.200900291
(R)-Linalyl beta-vicianoside 23815399 Click to see 448.50 unknown https://doi.org/10.1016/0031-9422(94)85079-8
[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl] (E)-3-phenylprop-2-enoate 44513741 Click to see 394.40 unknown https://doi.org/10.1021/JF991263J
https://doi.org/10.1248/BPB.28.2106
https://doi.org/10.1248/CPB.55.1643
https://doi.org/10.1021/JF950713E
2-(2,6-Dimethylhepta-1,5-dienoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol 162925121 Click to see CC(=CCCC(=COC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O)C)C 434.50 unknown https://doi.org/10.1002/HLCA.200900291
2,6,6-Trimethyl-4-[3,4,5-trihydroxy-6-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxycyclohexene-1-carboxylic acid 78151421 Click to see 552.60 unknown https://doi.org/10.1002/HLCA.200900291
L-Linalool 3-[xylosyl-(1->6)-glucoside] 73410547 Click to see 448.50 unknown https://doi.org/10.1016/0031-9422(94)85079-8
Npc186738 5320582 Click to see 346.37 unknown https://doi.org/10.1248/CPB.24.2644
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Annonaceous acetogenins
Npc113710 10508035 Click to see 614.90 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
(E)-tetradec-5-en-1-ol 6431325 Click to see CCCCCCCCC=CCCCCO 212.37 unknown via CMAUP database
6-Tetradecen-1-ol, (E) 6431327 Click to see 212.37 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty amides / N-acyl amines
(E,E,E)-N-(2-Methylpropyl)hexadeca-2,6,8-trien-10-ynamide 5281152 Click to see 301.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives / Jasmonic acids
Hedione 102861 Click to see 226.31 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
1-O-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] 16-O-[(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] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate 163056233 Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(OC3O)COC4C(C(C(C(O4)CO)O)O)O)O)O 977.00 unknown https://doi.org/10.1248/CPB.55.1643
1-O-[(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] 16-O-[(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] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate 56841542 Click to see 977.00 unknown via CMAUP database
beta-D-gentiobiosyl crocetin 10461942 Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)O 652.70 unknown https://doi.org/10.1021/JF950713E
beta-D-glucosyl crocetin 10368299 Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C=CC=C(C)C(=O)O 490.50 unknown https://doi.org/10.1021/JF9603487
Bis((3,4,5-trihydroxy-6-(((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)methyl)oxan-2-yl)) 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate 3510570 Click to see 977.00 unknown https://doi.org/10.1021/JF950713E
bis[(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] (2E,4E,6Z,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate 101662426 Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O 977.00 unknown https://doi.org/10.1021/JF950713E
Crocetin diglucosyl ester 25244294 Click to see 652.70 unknown via CMAUP database
Crocetin gentiobiosylglucosyl ester 9940690 Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)CO)O)O)O 814.80 unknown https://doi.org/10.1016/J.BMCL.2012.11.099
https://doi.org/10.1021/JF9603487
Crocin 5281233 Click to see 977.00 unknown https://doi.org/10.1021/JF950713E
https://doi.org/10.1021/JF9603487
https://doi.org/10.1021/JF991263J
https://doi.org/10.1002/(SICI)1521-4168(19980901)21:9<523::AID-JHRC523>3.0.CO;2-B
https://doi.org/10.1016/J.BMCL.2012.11.099
https://doi.org/10.1248/CPB.55.1643
https://doi.org/10.1248/BPB.28.2106
https://doi.org/10.1248/CPB.34.1419
https://doi.org/10.1271/BBB.56.1732
Crocin 4 101606290 Click to see 504.60 unknown via CMAUP database
Npc299057 91746171 Click to see 814.80 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids
(2Z,4E,6Z,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid 5385552 Click to see 328.40 unknown https://doi.org/10.1081/JLC-100104376
Crocetin 5281232 Click to see 328.40 unknown https://doi.org/10.1016/J.BMCL.2012.11.099
https://doi.org/10.1055/S-2005-871248
Crocetin dimethyl ester 5316132 Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC)C=CC=C(C)C(=O)OC 356.50 unknown via CMAUP database
Crocetin(2-) 25244519 Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)[O-])C=CC=C(C)C(=O)[O-] 326.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
Linalool 6549 Click to see 154.25 unknown via CMAUP database
Linalool, (-)- 443158 Click to see CC(=CCCC(C)(C=C)O)C 154.25 unknown via CMAUP database
Linalool, (+)- 67179 Click to see 154.25 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
Borneol 64685 Click to see 154.25 unknown https://doi.org/10.1271/BBB.57.1101
CID 44630107 44630107 Click to see CC1(C2CCC1(C(C2)O)C)C 154.25 unknown https://doi.org/10.1271/BBB.57.1101
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Iridoids and derivatives
(+)-Genipin 442424 Click to see 226.23 unknown https://doi.org/10.1080/10826079408013541
https://doi.org/10.1093/OXFORDJOURNALS.PCP.A076506
https://doi.org/10.1016/J.BMCL.2012.11.099
https://doi.org/10.1271/BBB1961.52.869
https://doi.org/10.1248/BPB.33.1343
https://doi.org/10.1002/(SICI)1521-4168(19980901)21:9<523::AID-JHRC523>3.0.CO;2-B
https://doi.org/10.1248/CPB.39.2057
6Beta-Hydroxygenipin 71577496 Click to see 242.22 unknown https://doi.org/10.1016/J.BMCL.2012.11.099
methyl (1R)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 44144320 Click to see COC(=O)C1=COC(C2C1CC=C2CO)O 226.23 unknown via CMAUP database
Methyl 1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 23340 Click to see 226.23 unknown https://doi.org/10.1248/BPB.33.1343
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Monocyclic monoterpenoids
Eucarvone 136330 Click to see CC1=CC=CC(CC1=O)(C)C 150.22 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
alpha-Guaiene 5317844 Click to see 204.35 unknown via CMAUP database
Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1S,4S,7R)- 107152 Click to see 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)- 9859094 Click to see 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
(1S,4S,4aS,6R,8aR)-decahydro-1,4-dimethyl-6-(prop-1-en-2-yl)naphthalen-1-ol 139584242 Click to see 222.37 unknown https://doi.org/10.1021/JF950713E
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Guaianes
(2S)-2-(3,8-dimethylazulen-5-yl)propanoic acid 3083593 Click to see CC1=C2C=CC(=C2C=C(C=C1)C(C)C(=O)O)C 228.29 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids
Taraxerol 92097 Click to see 426.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]oxane-3,4,5-triol 163191230 Click to see 448.50 unknown https://doi.org/10.1016/0031-9422(94)85079-8
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid 23786444 Click to see COC(=O)CC1C(=COC(C1=CCOC(=O)C=CC2=CC=CC=C2)OC3C(C(C(C(O3)CO)O)O)O)C(=O)O 550.50 unknown via CMAUP database
(5R,8S,8aR)-3,8-dimethyl-5-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one 162868513 Click to see 398.50 unknown https://doi.org/10.1002/MRC.2730
(5R)-4,5,6,7,8,8aalpha-Hexahydro-3,8beta-dimethyl-5beta-hydroxy-5-(1-hydroxy-1-methylethyl)-6beta-(beta-D-glucopyranosyloxy)azulene-2(1H)-one 10693932 Click to see CC1CC(C(CC2=C(C(=O)CC12)C)(C(C)(C)O)O)OC3C(C(C(C(O3)CO)O)O)O 430.50 unknown https://doi.org/10.1248/CPB.48.746
(5S,8S,8aR)-5-hydroxy-3,8-dimethyl-5-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,4,6,7,8,8a-hexahydroazulen-2-one 162868507 Click to see 414.50 unknown https://doi.org/10.1002/MRC.2730
[(2R,3S,4S,5R,6R)-6-[[(4S,4aS,7aS)-7-(hydroxymethyl)-3-oxo-4,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 44255333 Click to see 566.50 unknown via CMAUP database
[(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] (2E)-3,7-dimethylocta-2,6-dienoate 162989994 Click to see 492.50 unknown https://doi.org/10.1002/HLCA.200900291
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] (2E)-3,7-dimethylocta-2,6-dienoate 162988550 Click to see CC(=CCCC(=CC(=O)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O)C)C 462.50 unknown https://doi.org/10.1002/HLCA.200900291
[3,4,5-Trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl] 3,7-dimethylocta-2,6-dienoate 162988548 Click to see 462.50 unknown https://doi.org/10.1002/HLCA.200900291
[3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 3,7-dimethylocta-2,6-dienoate 162989993 Click to see 492.50 unknown https://doi.org/10.1002/HLCA.200900291
2-[(3,4,5-Trihydroxyoxan-2-yl)oxymethyl]-6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]oxane-3,4,5-triol 73815097 Click to see 448.50 unknown https://doi.org/10.1016/0031-9422(94)85079-8
2-[[6-(3,7-Dimethylocta-2,6-dienoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 156603004 Click to see 478.50 unknown https://doi.org/10.1002/HLCA.200900291
5-Hydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4,6,7,8,8a-hexahydroazulen-2-one 75614553 Click to see 430.50 unknown https://doi.org/10.1248/CPB.48.746
Jasminoside N 101505270 Click to see 478.50 unknown https://doi.org/10.1002/HLCA.200900291
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Diterpene glycosides
[(2S,3R,4S,5S,6S)-3-hydroxy-4,5-dimethyl-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoate 102112543 Click to see 632.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
(1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid 163193649 Click to see 580.50 unknown https://doi.org/10.1002/HLCA.200890068
(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid 154497057 Click to see 376.36 unknown https://doi.org/10.1021/NP0580816
(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbaldehyde 161786273 Click to see 360.36 unknown https://doi.org/10.1248/CPB.51.1417
(1S,7S)-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-4-carbaldehyde 10067054 Click to see 360.36 unknown via CMAUP database
(1S)-1-(beta-D-Glucopyranosyloxy)-1,4aalpha,5,6,7,7aalpha-hexahydro-7alpha-hydroxy-7-methylcyclopenta[c]pyran-4-carbaldehyde 72746025 Click to see 360.36 unknown https://doi.org/10.1248/CPB.51.1417
https://doi.org/10.1021/NP0580816
(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(((1S,4aR,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol 10359257 Click to see 330.33 unknown https://doi.org/10.1002/HLCA.200890068
(4aR,7R,7aR)-5,7-dihydroxy-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-4-carboxylic acid 11968937 Click to see CC1(CC(C2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O 392.35 unknown via CMAUP database
[(3aalpha,7aalpha)-3alpha-(Hydroxymethyl)-3beta-methoxy-7-(methoxycarbonyl)-5-oxahydrindane-1,6-diene-4alpha-yl]beta-D-glucopyranoside 101243871 Click to see COC(=O)C1=COC(C2C1C=CC2(CO)OC)OC3C(C(C(C(O3)CO)O)O)O 418.40 unknown https://doi.org/10.1248/CPB.51.1417
1-[(1S,4aS,7aS)-7-(hydroxymethyl)-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-yl]-2-hydroxyethanone 45358128 Click to see 388.40 unknown via CMAUP database
10-O-Acetylgeniposide 6324916 Click to see 430.40 unknown https://doi.org/10.1021/NP900176Q
2-(Hydroxymethyl)-6-[[7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]oxane-3,4,5-triol 14081905 Click to see C1C=C(C2C1C=COC2OC3C(C(C(C(O3)CO)O)O)O)CO 330.33 unknown https://doi.org/10.1002/HLCA.200890068
4-[[(1S,4aS,7aS)-4-methoxycarbonyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methoxy]-4-oxobutanoic acid 44255239 Click to see 488.40 unknown https://doi.org/10.1021/NP900176Q
5,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid 14378605 Click to see 392.35 unknown https://doi.org/10.1021/NP0580816
https://doi.org/10.1002/RCM.4643
6'-O-acetylgeniposide 44253991 Click to see CC(=O)OCC1C(C(C(C(O1)OC2C3C(CC=C3CO)C(=CO2)C(=O)OC)O)O)O 430.40 unknown https://doi.org/10.1021/NP900176Q
6'-O-P-Coumaroylgenipin Gentiobioside 6324973 Click to see 696.60 unknown https://doi.org/10.1002/HLCA.200890068
6'-O-p-coumaroylgeniposide 44255238 Click to see 534.50 unknown via CMAUP database
6'-Sinapoylgeniposide 46883088 Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3C4C(CC=C4CO)C(=CO3)C(=O)OC)O)O)O 594.60 unknown via CMAUP database
6''-O-E-caffeoyl deacetylasperulosidic methyl ester 101854735 Click to see 566.50 unknown https://doi.org/10.1002/HLCA.200890068
6alpha-Hydroxygeniposide; Deacetylasperulosidic acid methyl ester 3515876 Click to see COC(=O)C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O 404.40 unknown https://doi.org/10.1002/HLCA.200890068
https://doi.org/10.1021/NP0580816
https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008
https://doi.org/10.1002/RCM.4643
https://doi.org/10.1248/CPB.51.1417
7-(Hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid 323273 Click to see 374.34 unknown https://doi.org/10.1002/RCM.4643
7-(Hydroxymethyl)-1-[3,4,5-trihydroxy-6-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid 162989220 Click to see 580.50 unknown https://doi.org/10.1002/HLCA.200890068
7-Hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid 13878352 Click to see 376.36 unknown https://doi.org/10.1021/NP0580816
CID 12004581 12004581 Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O 388.40 unknown via CMAUP database
CID 24721095 24721095 Click to see COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O 404.40 unknown via CMAUP database
Deacetyl asperulosidic acid methyl ester 6325021 Click to see COC(=O)C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O 404.40 unknown https://doi.org/10.1002/HLCA.200890068
https://doi.org/10.1021/NP0580816
https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008
https://doi.org/10.1002/RCM.4643
https://doi.org/10.1248/CPB.51.1417
Desacetyl asperulosidic acid 12315348 Click to see 390.34 unknown https://doi.org/10.1002/RCM.4643
Desacetylasperulosidic acid 12315350 Click to see 390.34 unknown https://doi.org/10.1248/CPB.39.2057
https://doi.org/10.1002/RCM.4643
Galioside 185774 Click to see 404.40 unknown https://doi.org/10.1248/CPB.51.1417
https://doi.org/10.1002/BMC.3223
https://doi.org/10.1021/NP0580816
Gardenoside 442423 Click to see COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O 404.40 unknown https://doi.org/10.1080/10826079408013541
https://doi.org/10.1248/BPB.19.160
https://doi.org/10.1248/CPB.31.4185
https://doi.org/10.1016/S0031-9422(00)81686-6
https://doi.org/10.1248/CPB.33.4228
https://doi.org/10.1248/CPB.39.2057
https://doi.org/10.1016/S0021-9673(01)82148-8
https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008
https://doi.org/10.1002/RCM.4643
https://doi.org/10.1248/CPB.51.1417
Genameside C 11692460 Click to see 550.50 unknown https://doi.org/10.1016/J.BMCL.2012.11.099
Genameside D 11570273 Click to see 550.50 unknown https://doi.org/10.1016/J.BMCL.2012.11.099
https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008
Genipin 1-gentiobioside 3082301 Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O 550.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008
https://doi.org/10.1016/J.BMCL.2012.11.099
https://doi.org/10.1002/RCM.4643
https://doi.org/10.1248/CPB.39.2057
https://doi.org/10.1002/HLCA.200890068
https://doi.org/10.1021/NP0580816
https://doi.org/10.1248/CPB.21.2684
https://doi.org/10.1248/CPB.34.1419
genipin 1-O-alpha-L-rhamnopyranosyl (1->6)-beta-D-glucopyranoside 24878902 Click to see 534.50 unknown https://doi.org/10.1016/J.BMCL.2012.11.099
Geniposide 107848 Click to see 388.40 unknown https://doi.org/10.1002/RCM.4643
https://doi.org/10.1248/BPB.29.174
https://doi.org/10.1248/CPB.39.2057
https://doi.org/10.1248/BPB.19.160
https://doi.org/10.1055/S-2004-818978
https://doi.org/10.1016/S0021-9673(01)82148-8
https://doi.org/10.1002/HLCA.200890068
https://doi.org/10.1002/(SICI)1521-4168(19980901)21:9<523::AID-JHRC523>3.0.CO;2-B
https://doi.org/10.1248/CPB.21.2684
https://doi.org/10.1016/J.BMCL.2012.11.099
https://doi.org/10.1021/NP0580816
https://doi.org/10.1248/BPB.28.2106
https://doi.org/10.1021/NP050447R
https://doi.org/10.1021/JF00042A002
https://doi.org/10.1248/CPB.34.1419
https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008
https://doi.org/10.1016/0378-4274(88)90144-0
https://doi.org/10.1021/NP900176Q
https://doi.org/10.1248/YAKUSHI1947.105.10_996
https://doi.org/10.1248/CPB.51.1417
https://doi.org/10.1021/JF000978F
https://doi.org/10.1080/10826079408013541
Geniposidic Acid 443354 Click to see C1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO 374.34 unknown https://doi.org/10.1016/S0021-9673(01)82148-8
https://doi.org/10.1002/(SICI)1521-4168(19980901)21:9<523::AID-JHRC523>3.0.CO;2-B
https://doi.org/10.1002/RCM.4643
https://doi.org/10.1021/NP050447R
https://doi.org/10.1080/10826079408013541
Ixoroside 21603216 Click to see 360.36 unknown https://doi.org/10.1021/NP0580816
https://doi.org/10.1248/CPB.51.1417
methyl (1R,4aR,7R,7aR)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate 53297356 Click to see COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O 404.40 unknown via CMAUP database
methyl (1S,4aR,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate 129384808 Click to see COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O 404.40 unknown https://doi.org/10.1248/CPB.51.1417
methyl (1S,4aR,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate 161728207 Click to see 404.40 unknown https://doi.org/10.1248/CPB.51.1417
methyl (1S,4aS,5R,7aS)-5-butoxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 102507166 Click to see 460.50 unknown https://doi.org/10.1248/CPB.46.1295
methyl (1S,4aS,5R,7aS)-7-(hydroxymethyl)-5-methoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 162848640 Click to see COC1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)CO 418.40 unknown https://doi.org/10.1248/CPB.51.1417
methyl (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate 49775358 Click to see 406.40 unknown via CMAUP database
methyl (1S,4aS,5S,7aS)-5-butoxy-1-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 163190966 Click to see 768.80 unknown https://doi.org/10.1248/CPB.46.1295
methyl (1S,4aS,5S,7aS)-5-butoxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 102507165 Click to see CCCCOC1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)CO 460.50 unknown https://doi.org/10.1248/CPB.46.1295
methyl (1S,4aS,5S,7aS)-7-(hydroxymethyl)-5-methoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 102262675 Click to see COC1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)CO 418.40 unknown https://doi.org/10.1248/CPB.51.1417
https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008
methyl (1S,4aS,7aR)-7-(hydroxymethyl)-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 51066531 Click to see 388.40 unknown via CMAUP database
methyl (1S,4aS,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 101854734 Click to see 696.60 unknown https://doi.org/10.1002/HLCA.200890068
methyl (1S,4aS,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 71552450 Click to see 520.50 unknown https://doi.org/10.1016/J.BMCL.2012.11.099
methyl (1S,4aS,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 71552449 Click to see 712.60 unknown https://doi.org/10.1016/J.BMCL.2012.11.099
methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 71552451 Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O 520.50 unknown https://doi.org/10.1016/J.BMCL.2012.11.099
methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 10842393 Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O)O)O 696.60 unknown via CMAUP database
methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 71720357 Click to see 550.50 unknown https://doi.org/10.1016/J.BMCL.2012.11.099
https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008
methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 78358483 Click to see 388.40 unknown via CMAUP database
methyl (1S,4aS,7R,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 11372643 Click to see 388.40 unknown https://doi.org/10.1248/CPB.51.1417
methyl (1S,4aS,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-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-4-carboxylate 163096358 Click to see 406.40 unknown https://doi.org/10.1021/NP0580816
methyl (1S,4aS,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate 331642 Click to see 404.40 unknown via CMAUP database
methyl (1S,5R,7S)-5,7-dihydroxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate 17751041 Click to see 406.40 unknown via CMAUP database
methyl (1S,7S)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate 44202881 Click to see 404.40 unknown via CMAUP database
Methyl (1S)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 16760120 Click to see 388.40 unknown via CMAUP database
methyl (4aR,7aS)-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 137706142 Click to see 388.40 unknown https://doi.org/10.1248/CPB.39.2057
https://doi.org/10.1248/BPB.19.160
https://doi.org/10.1055/S-2004-818978
https://doi.org/10.1016/S0021-9673(01)82148-8
https://doi.org/10.1002/(SICI)1521-4168(19980901)21:9<523::AID-JHRC523>3.0.CO;2-B
https://doi.org/10.1021/JF00042A002
https://doi.org/10.1248/CPB.34.1419
https://doi.org/10.1016/0378-4274(88)90144-0
https://doi.org/10.1021/NP900176Q
https://doi.org/10.1248/CPB.51.1417
https://doi.org/10.1248/YAKUSHI1947.105.10_996
https://doi.org/10.1080/10826079408013541
methyl (4aR,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate 138113473 Click to see 404.40 unknown https://doi.org/10.1080/10826079408013541
https://doi.org/10.1248/BPB.19.160
https://doi.org/10.1248/CPB.31.4185
https://doi.org/10.1016/S0031-9422(00)81686-6
https://doi.org/10.1248/CPB.33.4228
https://doi.org/10.1248/CPB.39.2057
https://doi.org/10.1016/S0021-9673(01)82148-8
https://doi.org/10.1248/CPB.51.1417
methyl (5S)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 11968747 Click to see 404.40 unknown via CMAUP database
Methyl 1-[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 163021096 Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)OC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O)O 696.60 unknown https://doi.org/10.1002/HLCA.200890068
Methyl 1-[6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 163002167 Click to see COC(=O)C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O 566.50 unknown https://doi.org/10.1002/HLCA.200890068
Methyl 5-butoxy-1-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 162884252 Click to see 768.80 unknown https://doi.org/10.1248/CPB.46.1295
Methyl 5-butoxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 162903545 Click to see CCCCOC1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)CO 460.50 unknown https://doi.org/10.1248/CPB.46.1295
Methyl 7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 3515873 Click to see 388.40 unknown https://doi.org/10.1248/BPB.28.2106
https://doi.org/10.1002/HLCA.200890068
https://doi.org/10.1021/JF000978F
https://doi.org/10.1021/NP0580816
https://doi.org/10.1248/CPB.21.2684
https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008
https://doi.org/10.1002/RCM.4643
https://doi.org/10.1248/BPB.29.174
https://doi.org/10.1248/CPB.51.1417
Methyl 7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 72821258 Click to see 388.40 unknown https://doi.org/10.1248/CPB.51.1417
Methyl 7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 74029668 Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O)O)O 696.60 unknown https://doi.org/10.1002/HLCA.200890068
Methyl 7-(hydroxymethyl)-5-methoxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 162848639 Click to see 418.40 unknown https://doi.org/10.1248/CPB.51.1417
https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008
methyl 7-(hydroxymethyl)-7-methoxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate 162871830 Click to see COC(=O)C1=COC(C2C1C=CC2(CO)OC)OC3C(C(C(C(O3)CO)O)O)O 418.40 unknown https://doi.org/10.1248/CPB.51.1417
methyl 7-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate 131860114 Click to see 406.40 unknown https://doi.org/10.1021/NP0580816
methyl 7-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate 100058 Click to see 404.40 unknown https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008
https://doi.org/10.1002/RCM.4643
https://doi.org/10.1248/CPB.51.1417
https://doi.org/10.1021/NP0580816
Mussaenosidic acid 21633105 Click to see 376.36 unknown https://doi.org/10.1021/NP0580816
Scandoside, methyl ester 442433 Click to see 404.40 unknown https://doi.org/10.1002/HLCA.200890068
https://doi.org/10.1016/J.BMCL.2012.11.099
https://doi.org/10.1021/NP0580816
https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008
https://doi.org/10.1002/RCM.4643
https://doi.org/10.1248/CPB.51.1417
Shanzhiside 11948668 Click to see 392.35 unknown https://doi.org/10.1002/RCM.4643
https://doi.org/10.1021/NP0580816
Shanzhiside Methyl Ester 13892722 Click to see 406.40 unknown https://doi.org/10.1002/RCM.4643
Shanzhiside methylester [M+H]+ 13892721 Click to see 406.40 unknown https://doi.org/10.1002/RCM.4643
Shanzhiside-methylester 3085296 Click to see 406.40 unknown via CMAUP database
Tarennoside 182279 Click to see 358.34 unknown https://doi.org/10.1248/CPB.31.4185
https://doi.org/10.1016/S0031-9422(00)81686-6
https://doi.org/10.1248/CPB.33.4228
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
Trachelosperogenin A1, >=95% (LC/MS-ELSD) 21637743 Click to see 680.80 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
(3R,3aS,7R,10E,11aS)-7-hydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one 13821246 Click to see 250.33 unknown via CMAUP database
(4S,4aS,7aS)-4,7-bis(hydroxymethyl)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-3-one 5317525 Click to see 212.24 unknown via CMAUP database
(4S,4aS,7aS)-4,7-bis(hydroxymethyl)-4,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one 101675239 Click to see C1C=C(C2C1C(C(=O)OC2)CO)CO 198.22 unknown https://doi.org/10.1016/S0031-9422(00)89532-1
[(2R,3S,4S,5R,6R)-6-[[(4S,4aS,7aS)-4-(hydroxymethyl)-3-oxo-4,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 44253992 Click to see 566.50 unknown via CMAUP database
4,7-bis(hydroxymethyl)-4,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one 130146212 Click to see 198.22 unknown https://doi.org/10.1016/S0031-9422(00)89532-1
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Eudesmanolides, secoeudesmanolides, and derivatives
(3R,3aS,5aR,6R,9R,9aS,9bS)-6,9-dihydroxy-3,5a,9-trimethyl-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one 14110909 Click to see 268.35 unknown via CMAUP database
Dihydrosantamarin 13895713 Click to see CC1C2CCC3(C(CC=C(C3C2OC1=O)C)O)C 250.33 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
Costunolide derivative 54607887 Click to see 250.33 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(10R)-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 45358157 Click to see 456.70 unknown via CMAUP database
(2R,3R,4R,4aR,6aR,6bS,8aR,12S,12aS,14aR,14bR)-2,3,12-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid 101673896 Click to see 680.80 unknown via CMAUP database
(3S,5S,6S,8R,9S,10R,13S,14S,16S,17R)-16-[(2S,5R)-2,5-dimethyloxan-2-yl]oxy-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol 52931478 Click to see 448.70 unknown via CMAUP database
(4aS,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 53487826 Click to see 472.70 unknown via CMAUP database
(5R,8R,9S,10R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 12309262 Click to see CC(=CCCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CCC(=O)C4(C)C)C)C)C)O)C 442.70 unknown via CMAUP database
[(1R,3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aS,13bR)-4-hydroxy-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] dodecanoate 163050706 Click to see 641.00 unknown https://doi.org/10.1021/NP0580816
https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008
https://doi.org/10.1002/RCM.4643
https://doi.org/10.1248/CPB.21.2684
https://doi.org/10.1002/HLCA.200890068
[(3R,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-yl] acetate 13688749 Click to see 470.80 unknown via CMAUP database
3-O-cis-p-Coumaroylmaslinic acid 101001054 Click to see 618.80 unknown via CMAUP database
Friedelin 91472 Click to see 426.70 unknown via CMAUP database
Glutinol 9932254 Click to see 426.70 unknown via CMAUP database
Glutinone 10071029 Click to see CC1(CCC2(CCC3(C4CC=C5C(C4(CCC3(C2C1)C)C)CCC(=O)C5(C)C)C)C)C 424.70 unknown via CMAUP database
Npc62469 49867942 Click to see 456.70 unknown via CMAUP database
Stigmasteryl ferulate 15056831 Click to see 588.90 unknown https://doi.org/10.1021/JF950713E
https://doi.org/10.1021/JF9603487
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Azasteroids and derivatives
(8S,10R,13S)-17-[(1S)-1-(dimethylamino)ethyl]-N,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine 5316134 Click to see 358.60 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives
Gardenolic Acid B 45273405 Click to see 486.70 unknown https://doi.org/10.1351/PAC198658050811
Wwihqmxkphuikr-uvfbovlqsa- 10649269 Click to see 506.70 unknown https://doi.org/10.1016/J.BMCL.2012.11.099
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(-)-beta-Sitosterol 222284 Click to see 414.70 unknown via CMAUP database
(2S,3R,4S,5S,6R)-2-[[(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]-6-(hydroxymethyl)oxane-3,4,5-triol 101689889 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C 574.80 unknown via CMAUP database
(3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S)-17-[(2R,5R)-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-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 52940117 Click to see 576.80 unknown via CMAUP database
Npc196776 50930798 Click to see 410.70 unknown via CMAUP database
> Mixed metal/non-metal compounds / Metalloid salts / Metalloid chlorides
Antimony(3+);trichloride 10220195 Click to see [Cl-].[Cl-].[Cl-].[Sb+3] 228.11 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acid esters
1-(tert-Butyl) 2-methyl (2S,3R)-3-hydroxypiperidine-1,2-dicarboxylate 59754228 Click to see CC(C)(C)OC(=O)N1CCCC(C1C(=O)OC)O 259.30 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acid esters / Alpha-amino acyl ester of carbohydrates
[(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (2S)-2-aminopropanoate 11843136 Click to see 413.37 unknown https://doi.org/10.1021/NP050447R
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids
3,4-Dihydroxypipecolic acid 14523449 Click to see C1CNC(C(C1O)O)C(=O)O 161.16 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 / Proline and derivatives
(-)-Stachydrine 115244 Click to see 143.18 unknown via CMAUP database
(2S)-pyrrolidinium-2-carboxylate 6971047 Click to see 115.13 unknown via CMAUP database
Betonicine 164642 Click to see 159.18 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters / Methyl esters
Methyl 2-(2-butyl-4-oxocyclopentyl)acetate 21862951 Click to see 212.28 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
2-acetyloxy-2-[(3S,4R)-3-hydroxy-3,4,5,6-tetrahydro-1H-cyclopenta[c]furan-4-yl]acetic acid 5317551 Click to see 242.22 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Hexacarboxylic acids and derivatives
[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl] (4R)-4-acetyloxy-2,6,6-trimethylcyclohexene-1-carboxylate 10745355 Click to see CC1=C(C(CC(C1)OC(=O)C)(C)C)C(=O)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C 556.60 unknown https://doi.org/10.1248/CPB.48.746
[3,4,5-Triacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 4-acetyloxy-2,6,6-trimethylcyclohexene-1-carboxylate 85253409 Click to see 556.60 unknown https://doi.org/10.1248/CPB.48.746
Methyl (1S,4aS,7aS)-7-((acetyloxy)methyl)-1,4a,5,7a-tetrahydro-1-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)cyclopenta(c)pyran-4-carboxylate 162083 Click to see 598.50 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Pentacarboxylic acids and derivatives
(3R)-4-(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid 5316646 Click to see 660.60 unknown via CMAUP database
Methyl 3,5-di-O-caffeoyl-4-O-(3-hydroxy-3-methyl)-glutaroylquinate 11693219 Click to see CC(CC(=O)O)(CC(=O)OC1C(CC(CC1OC(=O)C=CC2=CC(=C(C=C2)O)O)(C(=O)OC)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O 674.60 unknown via CMAUP database
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
methyl (1S,5S)-5-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate 10611205 Click to see COC(=O)C1C(CC=C1CO)C(CO)C(=O)OC 258.27 unknown https://doi.org/10.1248/CPB.48.746
methyl (1S,5S)-5-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate 163048430 Click to see COC(=O)C1C(CC=C1CO)C(CO)C(=O)OC 258.27 unknown https://doi.org/10.1248/CPB.48.746
Methyl 5-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate 85205051 Click to see COC(=O)C1C(CC=C1CO)C(CO)C(=O)OC 258.27 unknown https://doi.org/10.1248/CPB.48.746
> Organic nitrogen compounds / Organonitrogen compounds / Quaternary ammonium salts / Cholines
Choline 305 Click to see 104.17 unknown via CMAUP database
> Organic oxygen compounds / Organic oxides
Safranal 61041 Click to see CC1=C(C(CC=C1)(C)C)C=O 150.22 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
(1R,3S,4S,5S)-3-((E)-3-(3,4-Dihydroxyphenyl)Acryloyloxy)-1,4,5-Trihydroxycyclohexanecarboxylic Acid 12310830 Click to see 354.31 unknown via CMAUP database
(1R,3S,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid 101522313 Click to see 560.50 unknown https://doi.org/10.1248/CPB.36.87
(1S,3R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid 5315604 Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(CC(CC2OC(=O)C=CC3=CC(=C(C=C3)O)O)(C(=O)O)O)O 560.50 unknown https://doi.org/10.1248/CPB.36.87
https://doi.org/10.1007/S12272-012-0101-3
3-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxy-4-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid 73154492 Click to see 560.50 unknown https://doi.org/10.1248/CPB.35.2133
3-O-Caffeoyl-4-O-sinapoylquinic acid 11962122 Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(CC(CC2OC(=O)C=CC3=CC(=C(C=C3)O)O)(C(=O)O)O)O 560.50 unknown https://doi.org/10.1248/CPB.35.2133
3,4-Dicaffeoylquinic acid 6474309 Click to see 516.40 unknown https://doi.org/10.1021/NP050447R
3,5-Di-caffeoylquinic acid 13604688 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O 516.40 unknown via CMAUP database
4,5-Dicaffeoyl quinic acid 13887346 Click to see 516.40 unknown via CMAUP database
4,5-Dicaffeoylquinic acid 5281780 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O 516.40 unknown via CMAUP database
5Z-Caffeoylquinic acid 5315832 Click to see 354.31 unknown via CMAUP database
Chlorogenic Acid 1794427 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 unknown https://doi.org/10.1248/CPB.36.87
cis-Chlorogenic acid 1794425 Click to see 354.31 unknown via CMAUP database
Cryptochlorogenic acid 9798666 Click to see 354.31 unknown via CMAUP database
Dicaffeoyl quinic acid 13604687 Click to see 516.40 unknown via CMAUP database
Dicaffeoylquinic acid 12358846 Click to see 516.40 unknown via CMAUP database
ethyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate 11512664 Click to see 588.60 unknown https://doi.org/10.1021/NP050447R
ethyl 5-O-caffeoyl-3-O-sinapoylquinate 11699888 Click to see CCOC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C(=C2)OC)O)OC)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O 588.60 unknown https://doi.org/10.1021/NP050447R
Ethyl Chlorogenate 11326520 Click to see 382.40 unknown https://doi.org/10.1021/NP050447R
isochlorogenic acid A 6474310 Click to see 516.40 unknown via CMAUP database
methyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate 11635556 Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(CC(CC2OC(=O)C=CC3=CC(=C(C=C3)O)O)(C(=O)OC)O)O 574.50 unknown https://doi.org/10.1021/NP050447R
methyl 5-O-caffeoyl-3-O-sinapoylquinate 11671431 Click to see 574.50 unknown https://doi.org/10.1021/NP050447R
Neochlorogenic acid 5280633 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Shikimic acids and derivatves
(+)-Shikimic acid 10986763 Click to see 174.15 unknown via CMAUP database
3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid 1094 Click to see 174.15 unknown via CMAUP database
Shikimic acid 8742 Click to see C1C(C(C(C=C1C(=O)O)O)O)O 174.15 unknown via CMAUP database
Shikimic acid (Shikimate) 49867941 Click to see 174.15 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols / Cyclohexanols
An inositol 892 Click to see 180.16 unknown via CMAUP database
Quercitol 441437 Click to see C1C(C(C(C(C1O)O)O)O)O 164.16 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glucosinolates / Alkylglucosinolates
3-(Methylsulfinyl)propyl glucosinolate 9548622 Click to see 423.50 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
(1S,4aS,6S,7aS)-6-hydroxy-7-methylidene-1-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid 154496616 Click to see 374.34 unknown https://doi.org/10.1016/0031-9422(74)85031-4
(4R)-3,5,5-trimethyl-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one 154496807 Click to see 330.37 unknown https://doi.org/10.1021/NP800002Z
(4R)-3,5,5-trimethyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one 98050833 Click to see CC1=CC(=O)CC(C1COC2C(C(C(C(O2)CO)O)O)O)(C)C 330.37 unknown https://doi.org/10.1248/CPB.46.1295
https://doi.org/10.1021/NP800002Z
(4S)-3-(hydroxymethyl)-5,5-dimethyl-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one 154496808 Click to see 346.37 unknown https://doi.org/10.1021/NP0580816
(4S)-3-(hydroxymethyl)-5,5-dimethyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one 11523073 Click to see 346.37 unknown https://doi.org/10.1021/NP0580816
(4S)-3,5,5-trimethyl-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one 154496516 Click to see 330.37 unknown https://doi.org/10.1021/NP800002Z
(4S)-3,5,5-trimethyl-4-[[(2S,3R,4R,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]methoxy]cyclohex-2-en-1-one 162969161 Click to see 492.50 unknown https://doi.org/10.1021/NP800002Z
(4S)-4-(hydroxymethyl)-5,5-dimethyl-3-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one 125181854 Click to see CC1(CC(=O)C=C(C1CO)COC2C(C(C(C(O2)CO)O)O)O)C 346.37 unknown https://doi.org/10.1021/NP800002Z
(4S)-4-[(I(2)-D-Glucopyranosyloxy)methyl]-3,5,5-trimethyl-2-cyclohexen-1-one 95789921 Click to see CC1=CC(=O)CC(C1COC2C(C(C(C(O2)CO)O)O)O)(C)C 330.37 unknown https://doi.org/10.1248/CPB.46.1295
https://doi.org/10.1021/NP800002Z
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] 2,6,6-trimethylcyclohexene-1-carboxylate 162863726 Click to see 462.50 unknown https://doi.org/10.1002/HLCA.200900291
[(4S,7S,8S)-4-methyl-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl acetate 11968866 Click to see CC(=O)OCC1=CC2(C3C1C(OC=C3C(=O)O2)OC4C(C(C(C(O4)CO)O)O)O)C 428.40 unknown via CMAUP database
[3,4,5-Trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl] 2,6,6-trimethylcyclohexene-1-carboxylate 45783035 Click to see 462.50 unknown https://doi.org/10.1002/HLCA.200900291
2,4,4-trimethyl-3-[[(2S,3R,4R,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]methoxy]cyclohex-2-en-1-one 154496809 Click to see CC1=C(C(CCC1=O)(C)C)OCC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O 492.50 unknown https://doi.org/10.1021/NP800002Z
2,4,4-Trimethyl-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one 73815075 Click to see 330.37 unknown https://doi.org/10.1248/CPB.46.1295
2,4,4-Trimethyl-3-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]cyclohex-2-en-1-one 162946216 Click to see 492.50 unknown https://doi.org/10.1021/NP800002Z
3-(Hydroxymethyl)-5,5-dimethyl-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one 72993954 Click to see 346.37 unknown https://doi.org/10.1021/NP0580816
3,5,5-Trimethyl-4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]cyclohex-2-en-1-one 162888798 Click to see 492.50 unknown https://doi.org/10.1021/NP800002Z
4-(Hydroxymethyl)-5,5-dimethyl-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one 137796439 Click to see 346.37 unknown https://doi.org/10.1021/NP0580816
https://doi.org/10.1248/CPB.46.1295
https://doi.org/10.1021/NP800002Z
4-Hydroxy-2,6,6-trimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carbaldehyde 162896037 Click to see 346.37 unknown https://doi.org/10.1248/CPB.46.1295
5,5-dimethyl-4-methylidene-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one 102507169 Click to see 328.36 unknown https://doi.org/10.1002/HLCA.200900291
https://doi.org/10.1248/CPB.46.1295
5,5-Dimethyl-4-methylidene-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one 163050208 Click to see 328.36 unknown https://doi.org/10.1002/HLCA.200900291
https://doi.org/10.1248/CPB.46.1295
6-hydroxy-7-methylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbaldehyde 73035923 Click to see 358.34 unknown https://doi.org/10.1021/NP0580816
6-hydroxy-7-methylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid 73981590 Click to see C=C1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O 374.34 unknown https://doi.org/10.1002/RCM.4643
Epijasminoside A 76551288 Click to see 330.37 unknown https://doi.org/10.1248/CPB.46.1295
https://doi.org/10.1021/NP800002Z
Gardaloside 11631807 Click to see 358.34 unknown https://doi.org/10.1021/NP0580816
Gardoside 46173850 Click to see C=C1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O 374.34 unknown https://doi.org/10.1002/RCM.4643
Gardoside methyl ester 51692952 Click to see COC(=O)C1=COC(C2C1CC(C2=C)O)OC3C(C(C(C(O3)CO)O)O)O 388.40 unknown via CMAUP database
Glc(b1-6)b-Glc1Me 13093581 Click to see 356.32 unknown https://doi.org/10.1002/(SICI)1521-4168(19980901)21:9<523::AID-JHRC523>3.0.CO;2-B
Jasminoside B 102507168 Click to see 346.37 unknown https://doi.org/10.1021/NP0580816
https://doi.org/10.1248/CPB.46.1295
https://doi.org/10.1021/NP800002Z
Jasminoside D 102507170 Click to see 346.37 unknown https://doi.org/10.1248/CPB.46.1295
Jasminoside E 21631030 Click to see 330.37 unknown https://doi.org/10.1248/CPB.46.1295
Jasminoside H 102596096 Click to see 492.50 unknown https://doi.org/10.1021/NP800002Z
Jasminoside I 102596097 Click to see 492.50 unknown https://doi.org/10.1021/NP800002Z
Jasminoside R 71552546 Click to see 490.50 unknown https://doi.org/10.1016/J.BMCL.2012.11.099
Jasminoside S 71552547 Click to see 492.50 unknown https://doi.org/10.1016/J.BMCL.2012.11.099
Jasminoside T 71552548 Click to see CC1=CC(=O)CC(C1COC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)(C)C 462.50 unknown https://doi.org/10.1016/J.BMCL.2012.11.099
methyl (1S,2S,4S,6S,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate 11418267 Click to see COC(=O)C1=COC(C2C1CC3C2(O3)CO)OC4C(C(C(C(O4)CO)O)O)O 404.40 unknown https://doi.org/10.1248/CPB.51.1417
Methyl 2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate 72953731 Click to see COC(=O)C1=COC(C2C1CC3C2(O3)CO)OC4C(C(C(C(O4)CO)O)O)O 404.40 unknown https://doi.org/10.1248/CPB.51.1417
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
Salicin 439503 Click to see 286.28 unknown https://doi.org/10.1016/S0031-9422(00)86961-7
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4R)-4-hydroxy-2,6,6-trimethylcyclohexene-1-carboxylate 10807517 Click to see 346.37 unknown https://doi.org/10.1248/CPB.48.746
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate 101505271 Click to see 328.36 unknown https://doi.org/10.1002/HLCA.200900291
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,6,6-trimethylcyclohexene-1-carboxylate 163014973 Click to see 330.37 unknown https://doi.org/10.1002/HLCA.200900291
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate 162995843 Click to see 328.36 unknown https://doi.org/10.1002/HLCA.200900291
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,6,6-trimethylcyclohexene-1-carboxylate 163014972 Click to see 330.37 unknown https://doi.org/10.1002/HLCA.200900291
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar alcohols
Glycerin 753 Click to see C(C(CO)O)O 92.09 unknown https://doi.org/10.1248/CPB.40.942
Mannitol 6251 Click to see 182.17 unknown https://doi.org/10.1248/CPB.40.942
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes
Cerbinal 13786166 Click to see 204.18 unknown https://doi.org/10.1271/BBB1961.50.2655
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
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
2,4-Decadienal 5283349 Click to see 152.23 unknown via CMAUP database
Deca-2,4-dienal 16899 Click to see 152.23 unknown via CMAUP database
Hept-2-enal 17167 Click to see 112.17 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
(6R)-2,2,6-trimethylcyclohexan-1-one 6999893 Click to see 140.22 unknown via CMAUP database
(S)-2,2,6-Trimethylcyclohexanone 6992946 Click to see CC1CCCC(C1=O)(C)C 140.22 unknown via CMAUP database
2,2,6-Trimethylcyclohexanone 17000 Click to see 140.22 unknown via CMAUP database
trans-Jasmone 1549019 Click to see 164.24 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
(4S)-4-(hydroxymethyl)-3,5,5-trimethylcyclohex-2-en-1-one 11105753 Click to see 168.23 unknown https://doi.org/10.1021/NP800002Z
2,4,4-Trimethyl-3-hydroxymethylcyclohex-2-en-1-one 14676448 Click to see CC1=C(C(CCC1=O)(C)C)CO 168.23 unknown https://doi.org/10.1002/HLCA.200900291
3,4-Bis(hydroxymethyl)-5,5-dimethylcyclohex-2-en-1-one 74348149 Click to see 184.23 unknown https://doi.org/10.1021/NP800002Z
4-(Hydroxymethyl)-3,5,5-trimethylcyclohex-2-en-1-one 85401037 Click to see CC1=CC(=O)CC(C1CO)(C)C 168.23 unknown https://doi.org/10.1021/NP800002Z
Jasminodiol 24896698 Click to see CC1(CC(=O)C=C(C1CO)CO)C 184.23 unknown https://doi.org/10.1021/NP800002Z
> Organoheterocyclic compounds / Azobenzenes
(1E)-1-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalen-2-one 5379348 Click to see C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NN=C3C(=O)C=CC4=CC=CC=C43 352.40 unknown via CMAUP database
(1Z)-1-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalen-2-one 5809667 Click to see 352.40 unknown via CMAUP database
1-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalen-2-one 6789251 Click to see C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NN=C3C(=O)C=CC4=CC=CC=C43 352.40 unknown via CMAUP database
> Organoheterocyclic compounds / Benzofurans / Benzofuranones
5-hydroxy-3-[9-(2-hydroxy-5-methyloxolan-2-yl)nonyl]-7-methoxy-3H-2-benzofuran-1-one 14488657 Click to see 406.50 unknown https://doi.org/10.1021/JF9603487
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthones
1,5-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one 5316845 Click to see C1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3O)OC4C(C(C(C(O4)CO)O)O)O)O 406.30 unknown via CMAUP database
> Organoheterocyclic compounds / Cycloheptafurans
(3S,3aR,4S,6S,9bS)-4-(Acetyloxy)-3a,5,6,9b-tetrahydro-6-hydroxy-3,6,9-trimethyl-4H-cyclohepta(2,1-b:3,4-c')difuran-2(3H)-one 15127111 Click to see 308.33 unknown via CMAUP database
[(2S,5S,6R,7S,9S)-9-hydroxy-5,9,13-trimethyl-4-oxo-3,12-dioxatricyclo[8.3.0.02,6]trideca-1(13),10-dien-7-yl] (E)-2-methylbut-2-enoate 102008485 Click to see 348.40 unknown via CMAUP database
2-Butenoic acid, 2-methyl-, (3S,3aR,4S,6S,9bS)-2,3,3a,5,6,9b-hexahydro-6-hydroxy-3,6,9-trimethyl-2-oxo-4H-cyclohepta(2,1-b:3,4-c')difuran-4-yl ester, (2Z)- 102008484 Click to see 348.40 unknown via CMAUP database
> Organoheterocyclic compounds / Heteroaromatic compounds
2-Pentylfuran 19602 Click to see 138.21 unknown via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indoles / 3-alkylindoles / 3-methylindoles
Skatole 6736 Click to see 131.17 unknown via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indolines
methyl (1S,3R,4S,9S,11S,14S,15S,18R)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadecane-18-carboxylate 162996848 Click to see 362.50 unknown https://doi.org/10.1021/JF9603487
> Organoheterocyclic compounds / Isobenzofurans
(3R,3aS,7aR)-3-ethoxy-7,7-dimethyl-1,3,3a,4,6,7a-hexahydro-2-benzofuran-5-one 45094293 Click to see CCOC1C2CC(=O)CC(C2CO1)(C)C 212.28 unknown https://doi.org/10.1016/S0031-9422(00)89532-1
(3S,3aS)-3-ethoxy-3,7,7-trimethyl-3a,4,6,7a-tetrahydro-1H-2-benzofuran-5-one 5317526 Click to see CCOC1(C2CC(=O)CC(C2CO1)(C)C)C 226.31 unknown via CMAUP database
3-Ethoxy-7,7-dimethyl-1,3,3a,4,6,7a-hexahydro-2-benzofuran-5-one 75089384 Click to see 212.28 unknown https://doi.org/10.1016/S0031-9422(00)89532-1
> Organoheterocyclic compounds / Isoindoles and derivatives / Isoindolines / Isoindolones
Shihunidine 195809 Click to see CN1CCCC12C3=CC=CC=C3C(=O)N2 202.25 unknown via CMAUP database
> Organoheterocyclic compounds / Isoquinolines and derivatives / Isoquinolones and derivatives
5-Chloro-7-hydroxy-2-(2-hydroxyethyl)-7-methyl-3-(3-methylpent-1-enyl)isoquinoline-6,8-dione 78108622 Click to see 351.80 unknown https://doi.org/10.1021/NP050447R
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
[(3R,3aR,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate 102014217 Click to see 304.34 unknown via CMAUP database
[(3S,3aR,4S,9aR,9bS)-9a-hydroxy-3,6,9-trimethyl-2,7-dioxo-3a,4,5,9b-tetrahydro-3H-azuleno[4,5-b]furan-4-yl] acetate 76764466 Click to see 320.30 unknown via CMAUP database
14-Deoxylactucin 156302 Click to see 260.28 unknown via CMAUP database
Deacetylmatricarin 6713966 Click to see 262.30 unknown via CMAUP database
Dehydroleucodine 73440 Click to see CC1=C2C(C3C(CC1)C(=C)C(=O)O3)C(=CC2=O)C 244.28 unknown via CMAUP database
Hydroxyachillin 10038339 Click to see 262.30 unknown via CMAUP database
Matricarin 3083923 Click to see CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)C)C)OC(=O)C 304.34 unknown via CMAUP database
Matricin 92265 Click to see CC1C2C(CC(=C3C=CC(C3C2OC1=O)(C)O)C)OC(=O)C 306.40 unknown via CMAUP database
> Organoheterocyclic compounds / Pyridines and derivatives / Hydropyridines / Tetrahydropyridines
Gardenamide 10775442 Click to see 223.22 unknown https://doi.org/10.1248/CPB.46.1295
methyl (4aS,7aS)-2-(2-hydroxyethyl)-7-(hydroxymethyl)-1-oxo-5,7a-dihydro-4aH-cyclopenta[c]pyridine-4-carboxylate 10825707 Click to see 267.28 unknown https://doi.org/10.1248/CPB.48.746
methyl 2-(2-hydroxyethyl)-7-(hydroxymethyl)-1-oxo-5,7a-dihydro-4aH-cyclopenta[c]pyridine-4-carboxylate 85280930 Click to see 267.28 unknown https://doi.org/10.1248/CPB.48.746
Methyl 7-(hydroxymethyl)-1-oxo-2,4a,5,7a-tetrahydrocyclopenta[c]pyridine-4-carboxylate 85264176 Click to see 223.22 unknown https://doi.org/10.1248/CPB.46.1295
> Organoheterocyclic compounds / Quinolines and derivatives
2-Methoxy-4-[2-(4-methoxyquinolin-2-yl)ethyl]phenol 163192729 Click to see COC1=CC(=NC2=CC=CC=C21)CCC3=CC(=C(C=C3)O)OC 309.40 unknown https://doi.org/10.1021/NP050447R
> Organosulfur compounds / Organic disulfides / Dialkyldisulfides
Methyl propyl disulfide 16592 Click to see 122.30 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
[(2R,3R,4S,5R,6R)-6-[(5,5-dimethyl-6-methylidene-3-oxocyclohexen-1-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 162967773 Click to see 534.60 unknown https://doi.org/10.1021/NP800002Z
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(1R)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]methoxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 102596098 Click to see CC1=CC(=O)CC(C1COC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C(=C3)OC)O)OC)O)O)O)(C)C 536.60 unknown https://doi.org/10.1021/NP800002Z
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(6S)-6-(hydroxymethyl)-5,5-dimethyl-3-oxocyclohexen-1-yl]methoxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 163190562 Click to see 552.60 unknown https://doi.org/10.1002/HLCA.200900291
[(2R,3S,4S,5R,6R)-6-[(5,5-dimethyl-6-methylidene-3-oxocyclohexen-1-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 102596099 Click to see CC1(CC(=O)C=C(C1=C)COC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C(=C3)OC)O)OC)O)O)O)C 534.60 unknown https://doi.org/10.1021/NP800002Z
[3,4,5-Trihydroxy-6-[(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)methoxy]oxan-2-yl]methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 163046816 Click to see 536.60 unknown https://doi.org/10.1021/NP800002Z
[3,4,5-Trihydroxy-6-[[6-(hydroxymethyl)-5,5-dimethyl-3-oxocyclohexen-1-yl]methoxy]oxan-2-yl]methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 78089357 Click to see 552.60 unknown https://doi.org/10.1002/HLCA.200900291
[6-[(5,5-Dimethyl-6-methylidene-3-oxocyclohexen-1-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 162967772 Click to see 534.60 unknown https://doi.org/10.1021/NP800002Z
6-hydroxy-7-methylidene-1-[3,4,5-trihydroxy-6-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid 78151420 Click to see 580.50 unknown https://doi.org/10.1002/HLCA.200890068
6'-O-trans-sinapoyl gardoside 71694459 Click to see 580.50 unknown https://doi.org/10.1002/HLCA.200890068
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
Caffeic Acid 689043 Click to see 180.16 unknown https://doi.org/10.1021/NP050447R
cis-Caffeic acid 1549111 Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O 180.16 unknown via CMAUP database
P-Coumaric Acid 637542 Click to see 164.16 unknown via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives
Scoparone 8417 Click to see 206.19 unknown via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens
Imperatorin 10212 Click to see 270.28 unknown via CMAUP database
Isoimperatorin 68081 Click to see 270.28 unknown via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
Scopoletin 5280460 Click to see 192.17 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
[(2R,3R,4R)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate 13831071 Click to see 746.60 unknown via CMAUP database
Benzoic acid, 3,4,5-trihydroxy-, (2R,2'R,3R,3'R,4R)-2-(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-5,5',7,7'-tetrahydroxy-2'-(3,4,5-trihydroxyphenyl)(4,8'-bi-2H-1-benzopyran)-3,3'-diyl ester 11622083 Click to see 898.70 unknown via CMAUP database
Epicatechin-(4beta->8)-epigallocatechin 3'-gallate 11513300 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)OC(=O)C7=CC(=C(C(=C7)O)O)O 746.60 unknown via CMAUP database
Procyanidin B3 146798 Click to see 578.50 unknown via CMAUP database
Procyanidin B3 3,3'-digallate 12795892 Click to see 882.70 unknown via CMAUP database
Prodelphinidin B3 13831068 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)O)C6=CC(=C(C(=C6)O)O)O)O 610.50 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
(-)-Catechol 73160 Click to see 290.27 unknown via CMAUP database
2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 1203 Click to see 290.27 unknown via CMAUP database
Catechin 9064 Click to see 290.27 unknown via CMAUP database
Epicatechin 72276 Click to see 290.27 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Catechin gallates
(-)-Epicatechin gallate 107905 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O 442.40 unknown via CMAUP database
(+)-Catechin 3-Gallate 5276454 Click to see 442.40 unknown via CMAUP database
Epigallocatechin Gallate 65064 Click to see 458.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Epigallocatechins
Epigallocatechin 72277 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O 306.27 unknown via CMAUP database
Gallocatechin 65084 Click to see 306.27 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones
Apigenin-7-olate 25200950 Click to see 269.23 unknown via CMAUP database
Quercetin-7-olate 46906036 Click to see 301.23 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Quercetagetin-6,7-3',4'-tetramethyl Ether 5316832 Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O)OC 374.30 unknown via CMAUP database
Quercetin 5280343 Click to see 302.23 unknown https://doi.org/10.1021/NP050447R
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid 3-O-p-coumaroyl glycosides
[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate 10418008 Click to see 824.70 unknown via CMAUP database
3'',4''-Di-O-acetyl-2'',6''-di-O-p-coumaroylastragalin 10328097 Click to see 824.70 unknown via CMAUP database
Kaempferol 3-(2'',6''-di-(E)-p-coumarylglucoside) 10439991 Click to see 740.70 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
Isoschaftoside 3084995 Click to see C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O 564.50 unknown via CMAUP database
Schaftoside 442658 Click to see C1C(C(C(C(O1)C2=C3C(=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O 564.50 unknown via CMAUP database
> 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-(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-3-((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxymethyl)Oxan-2-Yl)Oxychromen-4-One;Hydrate 45479757 Click to see 628.50 unknown via CMAUP database
2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-(3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxychromen-4-One 5378597 Click to see 464.40 unknown via CMAUP database
Astragalin 5282102 Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O 448.40 unknown via CMAUP database
Isoquercetin 5280804 Click to see 464.40 unknown https://doi.org/10.1021/NP050447R
Kaempferol-3-O-Rutinoside 5318767 Click to see 594.50 unknown via CMAUP database
Rutin 5280805 Click to see 610.50 unknown https://doi.org/10.1248/CPB.34.1419
Rutin trihydrate 16218542 Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.O 664.60 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
6-Hydroxyluteolin 7-glucoside 185766 Click to see 464.40 unknown via CMAUP database
Apigenin 7-O-glucoside 5280704 Click to see 432.40 unknown via CMAUP database
Isorhoifolin 9851181 Click to see 578.50 unknown via CMAUP database
Luteolin 7-O-glucoside 5280637 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O 448.40 unknown via CMAUP database
> 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 / 6-O-methylated flavonoids
Centaureidin 5315773 Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)O 360.30 unknown via CMAUP database
Pectolinarigenin 5320438 Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O 314.29 unknown via CMAUP database
Santin 5281695 Click to see COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC 344.30 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
5,7,3',4',5'-Pentamethoxyflavone 493376 Click to see 372.40 unknown via CMAUP database
Artemetin 5320351 Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC 388.40 unknown via CMAUP database
Corymbosin 10970376 Click to see COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C(=C3)OC)OC)OC)O 358.30 unknown via CMAUP database
Eupatorin 97214 Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O 344.30 unknown via CMAUP database
Penduletin 4'-methyl ether 5318355 Click to see 358.30 unknown via CMAUP database
Umuhengerin 73648 Click to see COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O 388.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 8-O-methylated flavonoids
Gardenin A 261859 Click to see 418.40 unknown via CMAUP database
Hypolaetin 8,3',4'-trimethyl ether 5316844 Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC 344.30 unknown via CMAUP database
Wogonin 5281703 Click to see 284.26 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
Genistein(1-) 25201420 Click to see C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)[O-])O)O 269.23 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavonoid O-glycosides
genistein 7-O-glucoside 44257273 Click to see C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O 432.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Rotenoids / Rotenones
5'beta-Rotenone 5102 Click to see 394.40 unknown https://doi.org/10.1248/CPB.55.1643
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
1-Epi-castalagin 12302512 Click to see 934.60 unknown via CMAUP database
3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxybenzoic acid 11577408 Click to see 536.50 unknown https://doi.org/10.1021/NP050447R
Castalagin 12302513 Click to see 934.60 unknown via CMAUP database

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