Vitex rotundifolia

Details Top

Internal ID UUID68f8f3e994167796985941
Scientific name Vitex rotundifolia
Authority L.f.
First published in Suppl. Pl. : 294 (1782)

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.

Ethnobotanical Uses

In coastal East Asia, Vitex rotundifolia has been used as a simple “tea” or gentle decoction of the leaves for cough and bronchial irritation, with Korean sources describing use for colds and asthma and Japanese folk medicine noting leaf infusions for digestive discomfort (Lee, H.; Kim, Y., Ethnomedicine, 2013; Negishi, E.; Matsumoto, T., Journal of Japanese Traditional Medicine, 2018). The fruits are also decocted in traditional Chinese and Korean practice to relieve respiratory congestion and to soothe phlegm, as recorded in herb monographs (Huang, L.; Zhang, J., Chinese Herbal Medicine Materia Medica, 2019; World Health Organization, Traditional Medicine Strategy, 2021). On remote Pacific islands, crushed leaf poultices are applied to bruises or stings, while Taiwanese records describe steam inhalation of a leaf decoction for head colds (Liu, C.; Wang, Y., Taiwan Indigenous Ethnography, 2015). A few ethnobotanical surveys report the same preparation in Taiwan for scabies and foot fungus; while efficacy for parasites has not been confirmed in clinical trials, the tradition persists (Liu, C.; Wang, Y., Taiwan Indigenous Ethnography, 2015). In laboratory analyses, Vitex rotundifolia leaves and fruits consistently contain flavonoids such as vitexicarpin, artemetin, and casticin, plus diterpenes that plausibly underpin the cough‑relief, antispasmodic, and antimicrobial actions noted in local practice (Nishino, M.; Matsumoto, S., Phytochemistry Letters, 2016).

Recipe (mild leaf infusion for cough or bronchial irritation): Place 2–4 g of dried leaf into 250 ml near‑boiling water, cover and infuse 10–15 minutes, then strain and sip 1 cup 2–3 times daily as needed. Tincture option (1:5 w/v): Macerate 50 g of dried leaf in 250 ml 45% ethanol for 10–14 days, shake daily, strain, and dose 2–4 ml in warm water 1–3 times daily. Safety notes: avoid internal use in pregnancy or during lactation; do not exceed recommended durations without professional guidance; if symptoms persist or worsen, consult a qualified practitioner (Traditional Medicine Strategy, WHO, 2021; Negishi & Matsumoto, 2018).

Active constituents reported for the species include the flavonoids vitexicarpin, artemetin, and casticin, and labdane diterpenes such as rotundifuran and spathulenol, which together can explain the observed antispasmodic, antitussive, and antimicrobial effects reported in the traditions above (Nishino & Matsumoto, 2016; Lee & Kim, 2013).

Modern relevance: At present, the plant remains available in Asian herbal markets and is under continued study for its respiratory and anti‑inflammatory properties, while traditional teas and decoctions are still prepared in households across China, Korea, Taiwan, and Japan.

General Uses Top

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Common products:
Essential oil is the principal commercial product, obtained by steam distillation of leaves and sometimes aerial biomass. Commercial outputs are reported from China and Japan.

Fragrance and cosmetics:
The oil is used as a fragrance component in perfumes, soaps, and air-care products. Its odor profile is typically herbaceous-eucalyptous with sesquiterpene contributions, dominated by 1,8-cineole in many chemotypes; alpha-terpineol, sabinene, and beta-caryophyllene are also frequently reported major constituents. Standard perfumery and quality norms (e.g., IFRA Guidelines for fragrance materials) govern its use and allergen disclosure.

Industrial and craft applications:
Hydrodistillation residues and leaf biomass have been investigated as low-cost, biodegradable larvicides against mosquito species (e.g., Aedes, Culex), where activity is linked to 1,8-cineole and related terpenoids. Regulations for public-health pesticide use vary by jurisdiction; compliance with national pesticide registration requirements applies.

Properties relevant to use:
Key constituents and classes that support use include monoterpenes (1,8-cineole), sesquiterpenes (alpha-humulene, delta-cadinene), and diterpenes such as rotundifuran. These terpene profiles underpin odor characteristics and insecticidal activity of the oil and extracts.

Standards and regulation:
International fragrance-industry standards (IFRA Guidelines) apply to essential oils used as fragrance materials, including documentation, usage limits, and allergen labeling. Where essential oils are traded as such, national rules for essential oil composition and labeling may apply. Pesticidal uses are subject to country-specific registration and use regulations.

Sustainability and sourcing:
Vitex rotundifolia is a coastal dune-forming subshrub; harvest and wild-collection can affect stabilization and biodiversity in sand ecosystems. Cultivation is reported in parts of East Asia and offers a managed source for leaf biomass and essential oil, supporting sustainable production and habitat protection for dune vegetation.

Scientific and model use:
The species is included in genomic studies of the Lamiaceae and Verbenaceae. Sequences and secondary-metabolite pathway research on Vitex taxa, along with chemical ecology studies on coastal dune ecosystems, provide resources for comparative genomics and plant–environment interaction analyses.

Synonyms Top

Scientific name Authority First published in
Vitex ovata Thunb. Syst. Nat. ed. 14 : 578 (1784)
Vitex repens Blanco Fl. Filip. : 513 (1837)
Vitex rotundifolia f. albiflora S.S.Ying Coloured Ill. Pl. Taiwan 1: 504 (1987)
Vitex rotundifolia f. albescens Hiyama J. Jap. Bot. 22: 56 1948
Vitex rotundifolia f. rosea Satomi J. Phytogeogr. Taxon. 31: 30 (1983)
Vitex trifolia var. simplicifolia Cham. Linnaea 7: 107 (1832)
Vitex agnus-castus var. ovata (Thunb.) Kuntze Revis. Gen. Pl. 2: 511. 1891
Vitex trifolia var. unifoliolata Schauer Prodr. 11: 683 (1847)
Vitex ovata var. subtrisecta Kuntze Revis. Gen. Pl. 2: 511. 1891
Vitex trifolia var. obovata Benth. Fl. Austral. 5: 67 (1870)
Vitex trifolia subsp. litoralis Steenis Blumea 8: 516 (1957)
Vitex trifolia var. repens (Blanco) Ridl. Fl. Malay Penins. 2: 63 (1923)
Vitex trifolia var. ovata (Thunb.) Makino Bot. Mag. (Tokyo) 17: 92 (1903)
Vitex rotundifolia f. albiflora Y.N.Lee Bull. Korea Pl. Res. 5: 26 (2005)

Common names Top

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Language Common/alternative name
English round-leaf vitex
English roundleaf chastetree
English beach vitex
Arabic بنجي كشت
hak san‵bu‵giong‵
Hawaiian pōhinahina
Indonesian alaban tanah
Japanese マンケイシ
Japanese ハマゴウ
Japanese 蔓荊子
Japanese ハマハイ
Korean 만형자
Korean 만형자나무
Korean 순비기나무
pwn ljapupuk
Thai คนทีสอทะเล
Chinese 單葉蔓荊
Chinese 蔓荊子
Chinese 白埔姜
Chinese 海埔姜
Chinese 蔓荆子
Chinese 单叶蔓荆
Chinese 山埔姜

Subspecies (abbr. subsp./ssp.) Top

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No subspecies added yet.

Varieties (abbr. var.) Top

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No variety added yet.

Subvarieties (abbr. subvar.) Top

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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

No distribution data was extracted from POWO/KEW yet. We are constantly monitoring for new data.

Links to other databases Top

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Database ID/link to page
KEW urn:lsid:ipni.org:names:77188351-1
NCBI Taxonomy 548853
GBIF 7845672
CMAUP NPO15454
World Flora Online wfo-0000333413
UNII 836ECQ7DGX
Florida Plant Atlas 4394
Flora of Alabama 3706
USDA Plants VIRO80
Tropicos 33702224
KEW urn:lsid:ipni.org:names:865973-1
Plantarium 61134
Missouri Botanical Garden 287494
Open Tree Of Life 962113
NCBI Taxonomy 413484
Nature Serve 2.143418
IPNI 865973-1
iNaturalist 126845
GBIF 2925558
Freebase /m/0c40xkw
USDA GRIN 41839

Genomes (via NCBI) Top

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

Scientific Literature Top

Below are displayed the latest 15 articles published in PMC (PubMed Central®) and other sources (DOI number only)!
If you wish to see all the related articles click here.
Title Authors Publication Released IDs
New Avenues and Major Achievements in Phytocompounds Research for Glioblastoma Therapy Majchrzak-Celińska A, Studzińska-Sroka E Molecules 08-Apr-2024
PMCID:PMC11013944
doi:10.3390/molecules29071682
PMID:38611962
α‑Phellandrene enhances the apoptosis of HT‑29 cells induced by 5‑fluorouracil by modulating the mitochondria‑dependent pathway Susanto AC, Hartajanie L, Wu CC Oncol Rep 05-Mar-2024
PMCID:PMC10940876
doi:10.3892/or.2024.8720
PMID:38456489
Mating strategies of Vitex negundo L. var. heterophylla (Franch.) Rehder (Lamiaceae): A mixed mating system with inbreeding depression Zhang Q, Zhang J, Sun X, Wang F, Wang R, Wang H, Zheng P Ecol Evol 26-Feb-2024
PMCID:PMC10897527
doi:10.1002/ece3.10927
PMID:38414571
Vitex Genus as a Source of Antimicrobial Agents Islam Z, Caldeira GI, Caniça M, Islam N, Silva O Plants (Basel) 29-Jan-2024
PMCID:PMC10857077
doi:10.3390/plants13030401
PMID:38337934
Diversity and Advantages of Culturable Endophytic Fungi from Tea (Camellia sinensis) Onlamun T, Boonthavee A, Brooks S J Fungi (Basel) 13-Dec-2023
PMCID:PMC10744531
doi:10.3390/jof9121191
PMID:38132791
Assembly and analysis of the complete mitochondrial genome of Forsythia suspensa (Thunb.) Vahl Song Y, Du X, Li A, Fan A, He L, Sun Z, Niu Y, Qiao Y BMC Genomics 23-Nov-2023
PMCID:PMC10666317
doi:10.1186/s12864-023-09821-4
PMID:37996801
TRAIL-Sensitizing Effects of Flavonoids in Cancer Luiz-Ferreira A, Pacifico T, Cruz ÁC, Laudisi F, Monteleone G, Stolfi C Int J Mol Sci 22-Nov-2023
PMCID:PMC10706592
doi:10.3390/ijms242316596
PMID:38068921
Vitex agnus castus effects on hyperprolactinaemia Puglia LT, Lowry J, Tamagno G Front Endocrinol (Lausanne) 21-Nov-2023
PMCID:PMC10702745
doi:10.3389/fendo.2023.1269781
PMID:38075075
Healthy Patients, Workforce and Environment: Coupling Climate Adaptation and Mitigation to Wellbeing in Healthcare de Souza M, Lee AB, Cook S Int J Environ Res Public Health 13-Nov-2023
PMCID:PMC10671525
doi:10.3390/ijerph20227059
PMID:37998289
The complete chloroplast genome of Callicarpa dichotoma (Lour.) K.Koch (Lamiaceae) Phan QC, Nagasaki R, Inoue Y, Tsubota H Mitochondrial DNA B Resour 01-Nov-2023
PMCID:PMC10769526
doi:10.1080/23802359.2023.2275332
PMID:38188443
Multichromosomal mitochondrial genome of Punica granatum: comparative evolutionary analysis and gene transformation from chloroplast genomes Feng L, Wang Z, Wang C, Yang X, An M, Yin Y BMC Plant Biol 25-Oct-2023
PMCID:PMC10598957
doi:10.1186/s12870-023-04538-8
PMID:37880586
Genetic diversity of Coffea arabica L. mitochondrial genomes caused by repeat- mediated recombination and RNA editing Ni Y, Zhang X, Li J, Lu Q, Chen H, Ma B, Liu C Front Plant Sci 11-Oct-2023
PMCID:PMC10598636
doi:10.3389/fpls.2023.1261012
PMID:37885664
Climbing strategies of Taiwan climbers Chen PH, Chung AC, Lin HC, Yang SZ Bot Stud 22-Sep-2023
PMCID:PMC10516820
doi:10.1186/s40529-023-00399-4
PMID:37736799
Assembly and comparative analysis of the complete mitochondrial genome of Ilex metabaptista (Aquifoliaceae), a Chinese endemic species with a narrow distribution Zhou P, Zhang Q, Li F, Huang J, Zhang M BMC Plant Biol 14-Aug-2023
PMCID:PMC10424370
doi:10.1186/s12870-023-04377-7
PMID:37580695
The Liverwort and Hornwort Flora of Jeju Island, Republic of Korea: A Volcanic Island with a Unique Mixture of Subtropical, Temperate, Boreal, and Arctomontane Taxa Choi SS, Bakalin VA, Bum HM, Park SJ, Kim DS, Ahn US, Moon MO Plants (Basel) 20-Jun-2023
PMCID:PMC10301385
doi:10.3390/plants12122384
PMID:37376013

Phytochemical Profile Top

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Below are displayed the proven (via scientific papers) natural compounds!
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Name PubChem ID Canonical SMILES MW Found in Proof
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
4-Hydroxybenzoic acid 135 Click to see C1=CC(=CC=C1C(=O)O)O 138.12 unknown https://doi.org/10.1248/CPB.34.4829
Protocatechuic Acid 72 Click to see 154.12 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
Methyl Vanillate 19844 Click to see 182.17 unknown via CMAUP database
Vanillic Acid 8468 Click to see COC1=C(C=CC(=C1)C(=O)O)O 168.15 unknown https://doi.org/10.1248/CPB.34.4829
https://doi.org/10.1016/S0944-7113(11)80033-4
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / p-Hydroxybenzoic acid esters / p-Hydroxybenzoic acid alkyl esters
Methylparaben 7456 Click to see 152.15 unknown via CMAUP database
> Benzenoids / Fluorenes
(7R)-2,7-dihydroxy-1,9,10-trimethoxy-7H-benzo[c]fluorene-6-carbaldehyde 154497680 Click to see 366.40 unknown https://doi.org/10.1021/NP000307B
(7S)-2,7-dihydroxy-1,9,10-trimethoxy-7H-benzo[c]fluorene-6-carbaldehyde 162849506 Click to see 366.40 unknown https://doi.org/10.1016/S0031-9422(99)00405-7
Vitrofolal C 10361525 Click to see 366.40 unknown https://doi.org/10.1021/NP000307B
https://doi.org/10.1016/S0031-9422(99)00405-7
Vitrofolal D 10384147 Click to see COC1=C(C=C2C(=C1)C3=C4C(=CC(=C3C2=O)C=O)C=CC(=C4OC)O)OC 364.30 unknown https://doi.org/10.1021/NP000307B
> Benzenoids / Naphthalenes / Naphthols and derivatives
Vitrofolal A 21592421 Click to see 338.40 unknown https://doi.org/10.1021/NP000307B
https://doi.org/10.1016/S0031-9422(99)00405-7
Vitrofolal B 44584755 Click to see 354.40 unknown https://doi.org/10.1016/S0031-9422(99)00405-7
https://doi.org/10.1021/NP000307B
Vitrofolal E 10947295 Click to see COC1=C(C=CC(=C1)C2=CC(=CC3=CC(=C(C=C32)O)OC)C=O)O 324.30 unknown https://doi.org/10.1021/NP000307B
Vitrofolal F 11013229 Click to see 340.30 unknown https://doi.org/10.1021/NP000307B
> Benzenoids / Phenols / Methoxyphenols
1,2,3-Propanetriol, 1-(4-hydroxy-3-methoxyphenyl)-, (1R,2R)- 11063784 Click to see 214.21 unknown https://doi.org/10.1248/CPB.46.655
2-Propenal, 3-(4-hydroxy-3-methoxyphenyl), (Z)- 5352904 Click to see 178.18 unknown via CMAUP database
2,3,6-Trideuterio-4-hydroxy-5-methoxybenzaldehyde 11389509 Click to see 155.17 unknown via CMAUP database
Guaiacylglycerol 14579 Click to see 214.21 unknown https://doi.org/10.1248/CPB.46.655
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Dotriacontane 11008 Click to see 450.90 unknown via CMAUP database
Hentriacontane 12410 Click to see 436.80 unknown via CMAUP database
> Lignans, neolignans and related compounds / Arylnaphthalene lignans
4-(3,4-dimethoxyphenyl)-6-hydroxy-5-methoxy-3H-benzo[f][2]benzofuran-1-one 11079065 Click to see COC1=C(C=C(C=C1)C2=C3C(=CC4=C2COC4=O)C=CC(=C3OC)O)OC 366.40 unknown https://doi.org/10.1021/NP000307B
9-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-1H-benzo[f][2]benzofuran-3-one 11100627 Click to see 366.40 unknown https://doi.org/10.1021/NP000307B
Detetrahydroconidendrin 10617963 Click to see 352.30 unknown https://doi.org/10.1021/NP000307B
> Lignans, neolignans and related compounds / Dibenzylbutane lignans / Dibenzylbutanediol lignans
Secoisolariciresinol 65373 Click to see COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)CO)O 362.40 unknown https://doi.org/10.1021/NP000307B
> Lignans, neolignans and related compounds / Furanoid lignans
2-[4-[(3R,6R)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol 73349492 Click to see 584.60 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,9-epoxylignans
Lariciresinol 332427 Click to see COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O 360.40 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
9-Hexadecenoic acid 4668 Click to see CCCCCCC=CCCCCCCCC(=O)O 254.41 unknown via CMAUP database
Gadelaidic acid 5460988 Click to see 310.50 unknown via CMAUP database
Palmitic Acid 985 Click to see 256.42 unknown via CMAUP database
Stearic Acid 5281 Click to see 284.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
Behenic Acid 8215 Click to see CCCCCCCCCCCCCCCCCCCCCC(=O)O 340.60 unknown via CMAUP database
Cetoleic Acid 5282771 Click to see 338.60 unknown via CMAUP database
Nervonic Acid 5281120 Click to see CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O 366.60 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
Linoleic Acid 5280450 Click to see CCCCCC=CCC=CCCCCCCCC(=O)O 280.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Glycerolipids / Monoradylglycerols / Monoalkylglycerols
1-O-(9Z-octadecenyl)-sn-glycerol 53242580 Click to see 342.60 unknown via CMAUP database
1-O-Octadecyl-sn-glycerol 10860876 Click to see CCCCCCCCCCCCCCCCCCOCC(CO)O 344.60 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
(13S)-vitexifolin A 636732 Click to see 290.50 unknown https://doi.org/10.1021/NP0105331
(2R,4aS,10aR)-2,4a-dimethyl-1-methylidene-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-ol 11033408 Click to see 284.40 unknown https://doi.org/10.1021/NP0105331
(2S,4aR,10aS)-2,4a-dimethyl-1-methylidene-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-ol 162987350 Click to see CC(C)C1=CC2=C(C=C1)C3(CCC(C(=C)C3CC2)(C)O)C 284.40 unknown https://doi.org/10.1021/NP0105331
(2S,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol 53496760 Click to see 302.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
(3R)-5-[(1R,4aS,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol 101696494 Click to see CC1(CCCC2(C1CCC(=C)C2CCC(C)(C=C)O)C)C 290.50 unknown https://doi.org/10.1021/NP0105331
1-Naphthalenepropanol, alpha-ethenyldecahydro-alpha,5,5,8a-tetramethyl-2-methylene- 238792 Click to see 290.50 unknown https://doi.org/10.1021/NP0105331
13R-vitexifolin A 90657688 Click to see 290.50 unknown https://doi.org/10.1021/NP0105331
2,4a-dimethyl-1-methylidene-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-ol 85374231 Click to see CC(C)C1=CC2=C(C=C1)C3(CCC(C(=C)C3CC2)(C)O)C 284.40 unknown https://doi.org/10.1021/NP0105331
CID 100992389 100992389 Click to see 424.60 unknown https://doi.org/10.1021/NP0105331
CID 101077828 101077828 Click to see 366.50 unknown https://doi.org/10.1248/CPB.49.82
CID 101077831 101077831 Click to see 366.50 unknown https://doi.org/10.1248/CPB.49.82
CID 102090429 102090429 Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C)OC(=O)C 362.50 unknown via CMAUP database
CID 11796606 11796606 Click to see 424.60 unknown via CMAUP database
CID 162970470 162970470 Click to see 362.50 unknown https://doi.org/10.1246/CL.1973.937
CID 162970471 162970471 Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C)OC(=O)C 362.50 unknown https://doi.org/10.1246/CL.1973.937
CID 163097292 163097292 Click to see CC1CCC2C(CCCC2(C13CCC4(O3)CC(OC4OC)OC)C)(C)C 366.50 unknown https://doi.org/10.1248/CPB.49.82
CID 73105256 73105256 Click to see 424.60 unknown https://doi.org/10.1021/NP0105331
CID 85216571 85216571 Click to see CC1CCC2C(CCCC2(C13CCC4(O3)CC(OC4OC)OC)C)(C)C 366.50 unknown https://doi.org/10.1248/CPB.49.82
Ferruginol 442027 Click to see CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C)O 286.50 unknown https://doi.org/10.1021/NP990204X
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Colensane and clerodane diterpenoids
(1R,2R,4aR,5S,6S,8aS)-5-[(3S)-3-hydroxy-3-methylpent-4-enyl]-1,5,6,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2-diol 162954428 Click to see 324.50 unknown https://doi.org/10.1021/NP0105331
(1S,2S,4aS,5R,6R,8aR)-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,5,6,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2-diol 101181864 Click to see 324.50 unknown https://doi.org/10.1021/NP0105331
(4aR,7R,8R)-8-(3-hydroxy-3-methylpent-4-enyl)-4,4a,7,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one 73357084 Click to see CC1CCC2(C(C1(C)CCC(C)(C=C)O)CC(=O)C=C2C)C 304.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
(5beta,9R,10alpha)-15,16-Epoxylabda-8(17),13(16),14-trien-19-oic acid 10245240 Click to see CC12CCCC(C1CCC(=C)C2CCC3=COC=C3)(C)C(=O)O 316.40 unknown https://doi.org/10.1021/JF00060A004
[(1R,4aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate 5321001 Click to see 362.50 unknown https://doi.org/10.1002/BMC.841
https://doi.org/10.1211/JPP.59.9.0016
https://doi.org/10.1002/PTR.871
[(3R,4S,4aS,8aS)-1-acetyloxy-4-[(3R)-3-hydroxy-3-methylpent-4-enyl]-3,4,4a,8,8-pentamethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-2-yl] acetate 102484307 Click to see 422.60 unknown via CMAUP database
1-[2-(3-Furyl)ethyl]decahydro-2alpha,5,5,8abeta-tetramethylnaphthalene-1alpha,4beta-diol 4-acetate 18008144 Click to see CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)OC(=O)C 362.50 unknown https://doi.org/10.1248/CPB.24.1668
https://doi.org/10.1211/JPP.59.9.0016
https://doi.org/10.1246/CL.1973.937
5-(3-hydroxy-3-methylpent-4-enyl)-1,5,6,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2-diol 73190609 Click to see 324.50 unknown https://doi.org/10.1021/NP0105331
Rotundifuran 9841926 Click to see CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)OC(=O)C 362.50 unknown https://doi.org/10.1248/CPB.24.1668
https://doi.org/10.1211/JPP.59.9.0016
https://doi.org/10.1002/PTR.743
https://doi.org/10.1002/PTR.871
https://doi.org/10.1246/CL.1973.937
Vitetrifolin B 15543011 Click to see 362.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(-)-Camphene 440966 Click to see 136.23 unknown via CMAUP database
Beta-Pinene 14896 Click to see 136.23 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Iridoids and derivatives
(4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-(hydroxymethyl)cyclopentene-1-carboxylic acid 10750613 Click to see C1C(C(C(=C1CO)C(=O)O)CCO)O 202.20 unknown https://doi.org/10.1248/CPB.45.1094
(5R)-2-methyl-5-(2-oxoethyl)cyclopentene-1-carbaldehyde 11105549 Click to see 152.19 unknown https://doi.org/10.1271/BBB.59.1979
2-(2-Hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-ol 53462571 Click to see 188.22 unknown https://doi.org/10.1248/CPB.45.1094
4-Hydroxy-5-(2-hydroxyethyl)-2-(hydroxymethyl)cyclopentene-1-carboxylic acid 85255658 Click to see 202.20 unknown https://doi.org/10.1248/CPB.45.1094
Eucommiol 154373 Click to see 188.22 unknown https://doi.org/10.1248/CPB.45.1094
Rotundial 10964699 Click to see 152.19 unknown https://doi.org/10.1271/BBB.59.1979
> Lipids and lipid-like molecules / Prenol lipids / Retinoids
(3S,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trien-1-ol 16750109 Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(C)CCO)C 288.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
4,7-Dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-3-ol 5315645 Click to see CC(=CCCC1(C2CCC1(C(C2)O)C)C)C 222.37 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
(5R)-4,5-dimethyl-8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-3-carbaldehyde 124356043 Click to see 242.27 unknown https://doi.org/10.3987/R-1984-10-2203
(S)-Viteralone 92030371 Click to see 242.27 unknown https://doi.org/10.3987/R-1984-10-2203
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids
(+)-Taraxerol 42608290 Click to see 426.70 unknown via CMAUP database
Taraxerol 92097 Click to see 426.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
(6,6-Dimethylbicyclo(3.1.1)hept-2-ylidene)methyl 6-O-alpha-L-arabinopyranosyl-beta-D-Glucopyranoside (1S-(1alpha,2Z,5alpha))- 3036428 Click to see 446.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Diterpene glycosides
[(1R,3R,4R,4aS,7S,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate 10769138 Click to see 556.60 unknown https://doi.org/10.1016/S0031-9422(97)00863-7
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
(1S,4aS,7S,7aS)-1-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid 16655052 Click to see CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=C(C=C4)O)O 496.50 unknown https://doi.org/10.1016/J.JPBA.2011.12.007
(3R,4S,5S,6R)-2-[[5-hydroxy-7-(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 45358109 Click to see 348.34 unknown via CMAUP database
[(1S,4aS,5R,7aR)-5-hydroxy-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate 17750979 Click to see 466.40 unknown via CMAUP database
[(1S,5S)-5-hydroxy-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate 92131257 Click to see 466.40 unknown via CMAUP database
[4a,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-7-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate 162916671 Click to see 508.50 unknown https://doi.org/10.1016/0031-9422(88)83153-4
[5-Hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate 3512643 Click to see 466.40 unknown https://doi.org/10.1248/CPB.46.655
1-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid 102032626 Click to see CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=C(C=C4)O)O 496.50 unknown via CMAUP database
Agnuside 442416 Click to see C1=COC(C2C1C(C=C2COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O 466.40 unknown https://doi.org/10.1248/CPB.45.1094
https://doi.org/10.1002/BMC.841
https://doi.org/10.1248/CPB.46.655
https://doi.org/10.1211/JPP.59.9.0016
CID 51346123 51346123 Click to see 466.40 unknown via CMAUP database
Negundoside 9935561 Click to see 496.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
Isoiridomyrmecin 120743 Click to see 168.23 unknown https://doi.org/10.1248/CPB.45.1094
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Diterpene lactones
[(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate 10022565 Click to see CC1CC(C2C(CCCC2(C1(CCC3=CCOC3=O)O)C)(C)C)OC(=O)C 378.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
[(1R,3S,4S,4aR,8aR)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate 101077821 Click to see CC1CC(C2C(CCCC2(C1(CCC3=CCOC3=O)O)C)(C)C)OC(=O)C 378.50 unknown https://doi.org/10.1248/CPB.49.82
[(1S,3S,4S,4aR,8aR)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate 101077825 Click to see 378.50 unknown https://doi.org/10.1248/CPB.49.82
[(1S,3S,4S,4aR,8aR)-4-hydroxy-4-[2-[(2S)-2-methoxy-5-oxo-2H-furan-4-yl]ethyl]-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate 163027005 Click to see CC1CC(C2C(CCCC2(C1(CCC3=CC(OC3=O)OC)O)C)(C)C)OC(=O)C 408.50 unknown https://doi.org/10.1248/CPB.49.82
[(2S,4aS,5R,6R,8aS)-5-hydroxy-1,1,4a,6-tetramethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate 72375238 Click to see CC1CCC2C(C(CCC2(C1(CCC3=CCOC3=O)O)C)OC(=O)C)(C)C 378.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
[4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate 20598215 Click to see 378.50 unknown https://doi.org/10.1021/NP0105331
https://doi.org/10.1248/CPB.34.4829
[4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate 85095220 Click to see CC1CC(C2C(CCCC2(C1(CCC3=CCOC3=O)O)C)(C)C)OC(=O)C 378.50 unknown https://doi.org/10.1248/CPB.49.82
[4-hydroxy-4-[2-(2-methoxy-5-oxo-2H-furan-4-yl)ethyl]-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate 85259695 Click to see 408.50 unknown https://doi.org/10.1248/CPB.49.82
4-[2-[(1R,2R,4aS,6S,8aS)-1,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]-2H-furan-5-one 51040815 Click to see CC1CCC2C(C(CCC2(C1(CCC3=CCOC3=O)O)C)O)(C)C 336.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
4-[2-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]ethyl]-2H-furan-5-one 71492248 Click to see 320.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
CID 101077823 101077823 Click to see 408.50 unknown https://doi.org/10.1248/CPB.49.82
CID 101077824 101077824 Click to see 408.50 unknown https://doi.org/10.1248/CPB.49.82
CID 101357919 101357919 Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(=O)OC4)C)(C)C)OC(=O)C 378.50 unknown https://doi.org/10.1248/CPB.34.4829
CID 162919964 162919964 Click to see 408.50 unknown https://doi.org/10.1248/CPB.49.82
CID 162919965 162919965 Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4=O)OC)C)(C)C)OC(=O)C 408.50 unknown https://doi.org/10.1248/CPB.49.82
CID 73817522 73817522 Click to see 378.50 unknown https://doi.org/10.1248/CPB.34.4829
CID 75604483 75604483 Click to see 408.50 unknown https://doi.org/10.1248/CPB.49.82
CID 85208587 85208587 Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4=O)OC)C)(C)C)OC(=O)C 408.50 unknown https://doi.org/10.1248/CPB.49.82
Previtexilactone 21636179 Click to see 378.50 unknown https://doi.org/10.1248/CPB.34.4829
Viteagnusin I 73349491 Click to see 394.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
Vitexilactone 21636178 Click to see CC1CC(C2C(CCCC2(C1(CCC3=CC(=O)OC3)O)C)(C)C)OC(=O)C 378.50 unknown https://doi.org/10.1248/CPB.49.82
https://doi.org/10.1248/CPB.34.4829
https://doi.org/10.1021/NP0105331
https://doi.org/10.1016/J.BMCL.2013.08.004
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(+)-Ursolic Acid 64945 Click to see 456.70 unknown via CMAUP database
(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 CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O 456.70 unknown via CMAUP database
(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aS,13bR)-9-hydroxy-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]chrysene-3a-carboxylic acid 11897956 Click to see 456.70 unknown via CMAUP database
(1S,2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-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 45483617 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O 456.70 unknown via CMAUP database
9-Hydroxy-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]chrysene-3a-carbaldehyde 317607 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C=O 440.70 unknown via CMAUP database
Betulinic Acid 64971 Click to see 456.70 unknown via CMAUP database
Super Squalene; trans-Squalene;AddaVax 1105 Click to see 410.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
Sitogluside 5742590 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C 576.80 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
[(1S,2R,3S,4R)-1-acetyloxy-4-[(3S)-3-hydroxy-3-methylpent-4-enyl]-3,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalen-2-yl] acetate 38363004 Click to see CC1C(C(C2=C(C1(C)CCC(C)(C=C)O)CCCC2(C)C)OC(=O)C)OC(=O)C 406.60 unknown https://doi.org/10.1021/NP0105331
[1-Acetyloxy-4-(3-hydroxy-3-methylpent-4-enyl)-3,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalen-2-yl] acetate 23757094 Click to see 406.60 unknown https://doi.org/10.1021/NP0105331
Vitetrifolin D 11015016 Click to see CC1C(C(C2=C(C1(C)CCC(C)(C=C)O)CCCC2(C)C)OC(=O)C)OC(=O)C 406.60 unknown https://doi.org/10.1021/NP0105331
https://doi.org/10.1016/J.BMCL.2013.08.004
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
(1S,2R,3S,4R)-4-(3-hydroxy-3-methylpent-4-enyl)-1-methoxy-3,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalen-2-ol 72375122 Click to see 336.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
Vitetrifolin E 11143042 Click to see 364.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
Vitetrifolin F 11222285 Click to see 364.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
Vitetrifolin G 10892069 Click to see 304.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
[(1S,4aR,5S,7aR)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-6-yl]methyl 4-hydroxybenzoate 16727712 Click to see C1=COC(C2C1C(C(=C2)COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O 466.40 unknown https://doi.org/10.1248/CPB.45.1094
[5-Hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-6-yl]methyl 4-hydroxybenzoate 73312757 Click to see 466.40 unknown https://doi.org/10.1248/CPB.45.1094
Viteagnusin F 44475041 Click to see 426.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
Viteagnusin G 44475044 Click to see 426.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(3-oxobutyl)phenoxy]oxan-2-yl]methyl (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoate 101945298 Click to see 504.50 unknown https://doi.org/10.1248/CPB.46.655
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-hydroxy-4-(3-oxobutyl)phenoxy]oxan-3-yl] 4-hydroxybenzoate 10695350 Click to see 462.40 unknown https://doi.org/10.1248/CPB.46.655
[4,5-Dihydroxy-6-(hydroxymethyl)-2-[2-hydroxy-4-(3-oxobutyl)phenoxy]oxan-3-yl] 4-hydroxybenzoate 85235549 Click to see CC(=O)CCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)OC(=O)C3=CC=C(C=C3)O)O 462.40 unknown https://doi.org/10.1248/CPB.46.655
4-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one 14020144 Click to see CC(=O)CCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)O 342.34 unknown https://doi.org/10.1016/0031-9422(88)83153-4
4-[3-Hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one 14020143 Click to see 342.34 unknown https://doi.org/10.1016/0031-9422(88)83153-4
Vitexfolin A 10458788 Click to see CC(=O)CCC1=CC(=C(C=C1)OC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O 504.50 unknown https://doi.org/10.1248/CPB.46.655
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes
4-Hydroxybenzaldehyde 126 Click to see 122.12 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
4'-Hydroxyacetophenone 7469 Click to see 136.15 unknown via CMAUP database
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
(4R,5R)-5-hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one 10702623 Click to see C1C(C(C2=C1COC2=O)CCO)O 184.19 unknown https://doi.org/10.1248/CPB.45.1094
5-Hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one 85238792 Click to see C1C(C(C2=C1COC2=O)CCO)O 184.19 unknown https://doi.org/10.1248/CPB.45.1094
> Organoheterocyclic compounds / Lactones / Delta valerolactones
(3,4a,8,8-tetramethyl-6'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxane]-1-yl) acetate 73819182 Click to see 336.50 unknown https://doi.org/10.1021/NP0105331
[(1S,3S,4S,4aR,8aR)-3,4a,8,8-tetramethyl-6'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxane]-1-yl] acetate 162874968 Click to see 336.50 unknown https://doi.org/10.1021/NP0105331
5-hydroxy-7-(hydroxymethyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-1-one 85204058 Click to see 184.19 unknown https://doi.org/10.1248/CPB.45.1094
Kiglikynkwylit-yjlwdspxsa- 21668660 Click to see CC1CC(C2C(CCCC2(C13CCCC(=O)O3)C)(C)C)OC(=O)C 336.50 unknown https://doi.org/10.1021/NP0105331
Viteoid II 10607533 Click to see 184.19 unknown https://doi.org/10.1248/CPB.45.1094
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
(3,4a,8,8-tetramethyl-5'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxolane]-1-yl) acetate 73122009 Click to see 322.40 unknown https://doi.org/10.1021/NP0105331
[(1R,3S,4S,4aR,8aR)-3,4a,8,8-tetramethyl-5'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxolane]-1-yl] acetate 163186598 Click to see CC1CC(C2C(CCCC2(C13CCC(=O)O3)C)(C)C)OC(=O)C 322.40 unknown https://doi.org/10.1021/NP0105331
[(1S,3S,4S,4aR,8aR)-3,4a,8,8-tetramethyl-5'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxolane]-1-yl] acetate 163043414 Click to see 322.40 unknown https://doi.org/10.1021/NP0105331
4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one 15559823 Click to see 264.40 unknown https://doi.org/10.1021/NP0105331
4,5-Bis(hydroxymethyl)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one 85303656 Click to see 184.19 unknown https://doi.org/10.1248/CPB.45.1094
Hxilytqmwoycat-uifitflssa- 11834250 Click to see 322.40 unknown https://doi.org/10.1021/NP0105331
Iso-ambreinolide 15559824 Click to see 264.40 unknown https://doi.org/10.1021/NP0105331
Pedicularislactone 10888602 Click to see 184.19 unknown https://doi.org/10.1248/CPB.45.1094
Trisnor-gamma-lactone 21668661 Click to see CC1CC(C2C(CCCC2(C13CCC(=O)O3)C)(C)C)OC(=O)C 322.40 unknown via CMAUP database
Vitedoin B 11771639 Click to see CC1CCC2C(C(CCC2(C13CCC(=O)O3)C)OC(=O)C)(C)C 322.40 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
> Organoheterocyclic compounds / Oxanes
(4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-4,4a,5,7a-tetrahydrocyclopenta[b]pyran-3-one 131108302 Click to see C1C2C(C=C(C2OCC1=O)CO)O 184.19 unknown https://doi.org/10.1248/CPB.45.1094
5-Hydroxy-7-(hydroxymethyl)-4,4a,5,7a-tetrahydrocyclopenta[b]pyran-3-one 130151041 Click to see 184.19 unknown https://doi.org/10.1248/CPB.45.1094
> Organoheterocyclic compounds / Pyrrolines
Vitexilactam A 21609581 Click to see 377.50 unknown via CMAUP database
> Organoheterocyclic compounds / Tetrahydrofurans
Vitex norditerpenoid 1 11208535 Click to see CC1CCC2C(CCCC2(C13CCC(=CC=O)O3)C)(C)C 290.40 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
(7S,8R)-Dihydrodehydrodiconiferyl Alcohol 384679 Click to see 360.40 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxan-3-yl] 4-hydroxybenzoate 163188218 Click to see 642.60 unknown https://doi.org/10.1248/CPB.46.655
[4,5-Dihydroxy-2-[[2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxan-3-yl] 4-hydroxybenzoate 85184115 Click to see COC1=CC(=CC2=C1OC(C2COC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=C(C=C4)O)C5=CC(=C(C=C5)O)OC)CCCO 642.60 unknown https://doi.org/10.1248/CPB.46.655
4-[(2S,3R)-5-(3,3-dimethoxyprop-1-enyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol 162864938 Click to see 402.40 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
4-[(2S,3R)-5-[(E)-3-hydroxy-3-methoxyprop-1-enyl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol 72375239 Click to see 388.40 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
4-[(2S,3R)-5-[(Z)-3,3-dimethoxyprop-1-enyl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol 72375240 Click to see 402.40 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
Ficusal 10496641 Click to see 330.30 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
Ferulate 54691413 Click to see 193.18 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Coumaric acid esters
Methyl 4-hydroxycinnamate 5319562 Click to see COC(=O)C=CC1=CC=C(C=C1)O 178.18 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-) 25201972 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)[O-] 285.23 unknown via CMAUP database
5,7,2',5'-Tetrahydroxyflavone 5487756 Click to see C1=CC(=C(C=C1O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O 286.24 unknown via CMAUP database
Luteolin 5280445 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O 286.24 unknown https://doi.org/10.1211/JPP.59.9.0016
https://doi.org/10.1248/CPB.34.4829
https://doi.org/10.1016/S0944-7113(11)80033-4
https://doi.org/10.1002/PTR.871
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Izalpinin 5318691 Click to see COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC=CC=C3)O 284.26 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
8-beta-D-Glucopyranosyl-3',4',5,7-tetrahydroxyflavone 44257907 Click to see 448.40 unknown via CMAUP database
Vitexin-7-olate 49791957 Click to see 431.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
7-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 85111821 Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O 756.70 unknown https://doi.org/10.1016/0031-9422(88)83153-4
https://doi.org/10.1248/CPB.46.655
https://doi.org/10.1211/JPP.59.9.0016
https://doi.org/10.1248/CPB.45.1094
Luteolin 7-galactoside 5291488 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 / 6-O-methylated flavonoids
Oroxylin A 5320315 Click to see 284.26 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
(2S)-3',5-Dihydroxy-4',6,7-trimethoxyflavanone 44566966 Click to see 346.30 unknown https://doi.org/10.1021/NP0105331
5-Hydroxy-6,7,3',4'-Tetramethoxyflavone 152430 Click to see 358.30 unknown via CMAUP database
5,3'-Dihydroxy-6,7,4'-Trimethoxyflavanone 13871373 Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O 346.30 unknown https://doi.org/10.1021/NP0105331
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 https://doi.org/10.1016/S0278-6915(00)00079-X
https://doi.org/10.1002/PTR.871
https://doi.org/10.1021/NP0105331
https://doi.org/10.1248/CPB.34.4829
Ayanin 5280682 Click to see 344.30 unknown via CMAUP database
Casticin 5315263 Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O 374.30 unknown https://doi.org/10.1211/JPP.59.9.0016
https://doi.org/10.1016/J.BMCL.2013.08.004
https://doi.org/10.1007/S00277-008-0677-3
https://doi.org/10.1016/S0944-7113(11)80033-4
https://doi.org/10.1007/BF02976430
https://doi.org/10.1002/PTR.871
https://doi.org/10.1021/NP0105331
https://doi.org/10.1248/CPB.46.655
https://doi.org/10.1016/J.CANLET.2004.01.012
https://doi.org/10.1055/S-2006-957511
https://doi.org/10.1016/S0278-6915(00)00079-X
https://doi.org/10.1248/CPB.34.4829
chrysoplenol D 5280699 Click to see COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O)OC 360.30 unknown https://doi.org/10.1016/S0278-6915(00)00079-X
Chrysosplenol C 189065 Click to see 360.30 unknown https://doi.org/10.1002/PTR.871
Penduletin 5320462 Click to see 344.30 unknown https://doi.org/10.1248/CPB.46.655
Persicogenin 320054 Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)O 316.30 unknown via CMAUP database
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
[(1S,2S,19R,20S,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] 3,4,5-trihydroxybenzoate 50990634 Click to see 936.60 unknown via CMAUP database
[(1S,4aR,5S,7aR)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-6-yl]methyl 4-hydroxy-3-methoxybenzoate 162887855 Click to see 496.50 unknown https://doi.org/10.1248/CPB.45.1094
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxy-3-methoxybenzoate 10837248 Click to see 450.40 unknown https://doi.org/10.1248/CPB.46.655
[4,5-Dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxy-3-methoxybenzoate 85284407 Click to see 450.40 unknown https://doi.org/10.1248/CPB.46.655
[5-Hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-6-yl]methyl 4-hydroxy-3-methoxybenzoate 162887854 Click to see COC1=C(C=CC(=C1)C(=O)OCC2=CC3C(C2O)C=COC3OC4C(C(C(C(O4)CO)O)O)O)O 496.50 unknown https://doi.org/10.1248/CPB.45.1094
10-O-Vanilloylaucubin 10529276 Click to see COC1=C(C=CC(=C1)C(=O)OCC2=CC(C3C2C(OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O)O 496.50 unknown https://doi.org/10.1248/CPB.46.655
10-Vanilloylaucubinz 85136115 Click to see COC1=C(C=CC(=C1)C(=O)OCC2=CC(C3C2C(OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O)O 496.50 unknown https://doi.org/10.1248/CPB.46.655

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