Acorus gramineus - Unknown
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Details Top

Internal ID UUID643ff33d493f0298501161
Scientific name Acorus gramineus
Authority Aiton
First published in Hort. Kew. 1: 474 (1789)

Description Top

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Acorus gramineus, also known as Japanese sweet flag, is a plant native to Japan, Korea, and eastern Asia. It grows in wetlands and shallow water and has long, narrow, slightly curved leaves. This plant is commonly used as a groundcover around ponds and water gardens and can also be grown in freshwater aquariums. It spreads quickly through its rhizomes and can be propagated by dividing them. In Japan, it has cultural significance and was used in festivals and as a decoration to ward off evil spirits.

Synonyms Top

Scientific name Authority First published in
Acorus gramineus var. japonica M.Hotta Mem. Fac. Sci. Kyoto Univ., Ser. Biol. 4: 1970
Acorus gramineus var. macrospadiceus Yamam. Contr. Fl. Kainan-to 1: 13 1943
Acorus gramineus var. pusillus (Siebold) Engl. Monogr. Phan. 2: 217 1879
Acorus humilis Salisb. Prodr. Stirp. Chap. Allerton : 263 (1796)
Acorus macrospadiceus (Yamamoto) F.N.Wei & Y.K.Li Guihaia 5: 179 (1985)
Acorus pusillus Siebold Verh. Batav. Genootsch. Kunsten 12: 2 (1830)
Acorus xiangyeus Z.Y.Zhu Acta Bot. Boreal.-Occid. Sin. 5(2): 119 (1985)

Common names Top

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Language Common/alternative name
English grass-leaf sweet-flag
English japanese sweet flag
English japanese rush
English grassy-leaved sweet flag
English grassleaf sweet flag
English dwarf sedge
English japanese sweetflag
English slender sweet flag
English grass-leaved sweet flag
Spanish acoro gramineo
Spanish Ácoro gramineo
Arabic أكوريوس جرامينيس
Belarusian Аер злакавы
Czech puškvorec trávolistý
Welsh gellesgen bêr fain
Finnish heinäkalmojuuri
Croatian močvarni ljiljan
Japanese アコルス
Japanese セキショウ
Lithuanian viksninis ajeras
Lithuanian siauralapis ajeras
Polish tatarak trawiasty
Thai สือชังผู่
Vietnamese thạch xương bồ
za gosipraemx
Chinese 建菖蒲
Chinese 小石菖蒲
Chinese 随手香
Chinese 长苞菖蒲
Chinese 钱蒲
Chinese 钱菖蒲
Chinese 金钱蒲
Chinese 堯韭
Chinese 石菖蒲
Chinese 菖蒲
Chinese 昌陽
Chinese 九节菖蒲

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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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
      • Inner Mongolia
      • Qinghai
      • Tibet
      • Xinjiang
    • Eastern Asia
      • Japan
      • Korea
      • Taiwan
    • Russian Far East
      • Primorye
  • Asia-tropical
    • Indian Subcontinent
      • Bangladesh
      • East Himalaya
    • Indo-China
      • Cambodia
      • Laos
      • Myanmar
      • Thailand
      • Vietnam
    • Malesia
      • Philippines

Links to other databases Top

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Database ID/link to page
World Flora Online wfo-0000352676
UNII Y2HSA883KM
USDA Plants ACGR15
Tropicos 2100016
INPN 897113
KEW urn:lsid:ipni.org:names:84019-1
The Plant List kew-2322
Missouri Botanical Garden 276173
Open Tree Of Life 1011467
Observations.org 127020
NCBI Taxonomy 55184
NBN Atlas NBNSYS0000014861
IUCN Red List 169076
IPNI 84019-1
iNaturalist 327370
GBIF 2873807
Freebase /m/03d47l4
EPPO ACSGR
EOL 1123091
Elurikkus 322774
USDA GRIN 1359
Wikipedia Acorus_gramineus
CMAUP NPO5681

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_030737835.1 ASM3073783v1 Chromosome Fujian Agriculture and Forestry University 2023-08-16 157.0x 380.12 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
Leveraging the sugarcane CRISPR/Cas9 technique for genetic improvement of non-cultivated grasses Li C, Iqbal MA Front Plant Sci 27-Mar-2024
PMCID:PMC11004347
doi:10.3389/fpls.2024.1369416
PMID:38601306
Screening for Active Compounds of Acorus calamus against SARS-CoV-2 Viral Protease and Mechanism Prediction Huang Y, Li Z, Ma Y, Wu Q, Kong J, Zhao L, Li S, Li J Pharmaceuticals (Basel) 01-Mar-2024
PMCID:PMC10975828
doi:10.3390/ph17030325
PMID:38543111
Usage Patterns of Traditional Chinese Medicine for Patients with Bipolar Disorder: A Population-Based Study in Taiwan Chen SP, Yang ST, Hu KC, Satyanarayanan SK, Su KP Healthcare (Basel) 18-Feb-2024
PMCID:PMC10888309
doi:10.3390/healthcare12040490
PMID:38391865
The efficacy and safety of Chinese herbal medicine for mild cognitive impairment: a systematic review and meta-analysis of randomized placebo-controlled trials Liu L, Zhang CS, Zhang AL, Cai Y, Xue CC Front Pharmacol 15-Feb-2024
PMCID:PMC10902497
doi:10.3389/fphar.2024.1341074
PMID:38425647
Differing structures of galactoglucomannan in eudicots and non-eudicot angiosperms Ishida K, Ohba Y, Yoshimi Y, Wilson LF, Echevarría-Poza A, Yu L, Iwai H, Dupree P PLoS One 21-Dec-2023
PMCID:PMC10735049
doi:10.1371/journal.pone.0289581
PMID:38127933
Genome-Wide Identification and Expression Analysis of WNK Kinase Gene Family in Acorus Ji H, Wu Y, Zhao X, Miao JL, Deng S, Li S, Gao R, Liu ZJ, Zhai J Int J Mol Sci 18-Dec-2023
PMCID:PMC10743480
doi:10.3390/ijms242417594
PMID:38139421
Comparative Plastid Genome and Phylogenomic Analyses of Potamogeton Species Choi K, Hwang Y, Hong JK, Kang JS Genes (Basel) 07-Oct-2023
PMCID:PMC10606940
doi:10.3390/genes14101914
PMID:37895263
Neuroendocrine Biomarkers of Herbal Medicine for Major Depressive Disorder: A Systematic Review and Meta-Analysis Seung HB, Kwon HJ, Kwon CY, Kim SH Pharmaceuticals (Basel) 18-Aug-2023
PMCID:PMC10458856
doi:10.3390/ph16081176
PMID:37631092
Role of traditional Chinese medicine monomers in cerebral ischemia/reperfusion injury:a review of the mechanism Zheng T, Jiang T, Huang Z, Ma H, Wang M Front Pharmacol 16-Aug-2023
PMCID:PMC10467294
doi:10.3389/fphar.2023.1220862
PMID:37654609
From Plants to Psycho-Neurology: Unravelling the Therapeutic Benefits of Bioactive Compounds in Brain Disorders Grosso C, Santos M, Barroso MF Antioxidants (Basel) 11-Aug-2023
PMCID:PMC10451187
doi:10.3390/antiox12081603
PMID:37627598
Discovering the anti-cancer phytochemical rutin against breast cancer through the methodical platform based on traditional medicinal knowledge Lee J, Lee J, Sim W, Kim JH, Choi C, Jeon J BMB Rep 05-Jul-2023
PMCID:PMC10689086
doi:10.5483/BMBRep.2023-0057
PMID:37357538
Secondary metabolites related to the resistance of Psidium spp. against the nematode Meloidogyneenterolobii Costa SN, Silva MV, Ribeiro JM, Castro JM, Muzitano MF, Costa RG, Oliveira AE, Fernandes KV Heliyon 04-Jul-2023
PMCID:PMC10395151
doi:10.1016/j.heliyon.2023.e17778
PMID:37539183
The genome of Acorus deciphers insights into early monocot evolution Guo X, Wang F, Fang D, Lin Q, Sahu SK, Luo L, Li J, Chen Y, Dong S, Chen S, Liu Y, Luo S, Guo Y, Liu H Nat Commun 20-Jun-2023
PMCID:PMC10281966
doi:10.1038/s41467-023-38836-4
PMID:37339966
Diploid and tetraploid genomes of Acorus and the evolution of monocots Ma L, Liu KW, Li Z, Hsiao YY, Qi Y, Fu T, Tang GD, Zhang D, Sun WH, Liu DK, Li Y, Chen GZ, Liu XD, Liao XY, Jiang YT, Yu X, Hao Y, Huang J, Zhao XW, Ke S, Chen YY, Wu WL, Hsu JL, Lin YF, Huang MD, Li CY, Huang L, Wang ZW, Zhao X, Zhong WY, Peng DH, Ahmad S, Lan S, Zhang JS, Tsai WC, Van de Peer Y, Liu ZJ Nat Commun 20-Jun-2023
PMCID:PMC10282084
doi:10.1038/s41467-023-38829-3
PMID:37339946
A case report: Catatonic symptoms secondary to systemic lupus erythematosus with multiple infections: neuropsychiatric or “mimickers?” Lv L, Lin Y, Zhang Y, Xiao W, Li M, Zhao L Medicine (Baltimore) 09-Jun-2023
PMCID:PMC10256366
doi:10.1097/MD.0000000000033746
PMID:37335678

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 / Anthracenes / Anthraquinones
Chrysophanic acid 10208 Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O 254.24 unknown via CMAUP database
Physcione 10639 Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC 284.26 unknown via CMAUP database
> Benzenoids / Anthracenes / Anthraquinones / Hydroxyanthraquinones
Emodin 3220 Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O 270.24 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives
Ethylbenzene 7500 Click to see CCC1=CC=CC=C1 106.16 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
Dibutyl Phthalate 3026 Click to see CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC 278.34 unknown via CMAUP database
Diisobutyl phthalate 6782 Click to see CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C 278.34 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / P-methoxybenzoic acids and derivatives
2,4,5-Trimethoxybenzoic acid 10276 Click to see COC1=CC(=C(C=C1C(=O)O)OC)OC 212.20 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
2,4,5-Trimethoxybenzaldehyde 20525 Click to see COC1=CC(=C(C=C1C=O)OC)OC 196.20 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzyloxycarbonyls
[(1R,2R)-1-(3,4-dimethoxyphenyl)-2-(2-methoxy-4-prop-1-enylphenoxy)propyl] acetate 162899418 Click to see CC=CC1=CC(=C(C=C1)OC(C)C(C2=CC(=C(C=C2)OC)OC)OC(=O)C)OC 400.50 unknown https://doi.org/10.1021/NP200541M
Ligraminol C 56599265 Click to see CC=CC1=CC(=C(C=C1)OC(C)C(C2=CC(=C(C=C2)OC)OC)OC(=O)C)OC 400.50 unknown https://doi.org/10.1021/NP200541M
> Benzenoids / Benzene and substituted derivatives / Methoxybenzenes / Dimethoxybenzenes
(2S,3S)-2-(3,4-dimethoxyphenyl)-3-methyloxirane 101413529 Click to see CC1C(O1)C2=CC(=C(C=C2)OC)OC 194.23 unknown https://doi.org/10.1016/S0031-9422(00)97975-5
2-(3,4-Dimethoxyphenyl)-3-methyloxirane 11127139 Click to see CC1C(O1)C2=CC(=C(C=C2)OC)OC 194.23 unknown https://doi.org/10.1016/S0031-9422(00)97975-5
3-(3,4-Dimethoxyphenyl)-1-propanol 77528 Click to see COC1=C(C=C(C=C1)CCCO)OC 196.24 unknown https://doi.org/10.1016/J.BMCL.2012.08.016
Isoeugenyl methyl ether 1549045 Click to see CC=CC1=CC(=C(C=C1)OC)OC 178.23 unknown https://doi.org/10.1055/S-0028-1097281
https://doi.org/10.1016/S0031-9422(00)97975-5
https://doi.org/10.1248/YAKUSHI1947.90.11_1367
Methyl isoeugenol 7128 Click to see CC=CC1=CC(=C(C=C1)OC)OC 178.23 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
https://doi.org/10.1055/S-0028-1097281
https://doi.org/10.1016/S0031-9422(00)97975-5
Methyleugenol 7127 Click to see COC1=C(C=C(C=C1)CC=C)OC 178.23 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
Methylisoeugenol 637776 Click to see CC=CC1=CC(=C(C=C1)OC)OC 178.23 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
> Benzenoids / Benzene and substituted derivatives / Phenylpropanes
1-(2,4,5-Trimethoxyphenyl)-1,2-propanedione 15172937 Click to see CC(=O)C(=O)C1=CC(=C(C=C1OC)OC)OC 238.24 unknown via CMAUP database
1-(2,4,5-Trimethoxyphenyl)propan-2-one 3083746 Click to see CC(=O)CC1=CC(=C(C=C1OC)OC)OC 224.25 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Styrenes
Cinnamyl 2-methylcrotonate 5367766 Click to see CC=C(C)C(=O)OCC=CC1=CC=CC=C1 216.27 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Toluenes
3-Ethyltoluene 12100 Click to see CCC1=CC=CC(=C1)C 120.19 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Xylenes / m-Xylenes
m-Xylene 7929 Click to see CC1=CC(=CC=C1)C 106.16 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Xylenes / p-Xylenes
P-Xylene 7809 Click to see CC1=CC=C(C=C1)C 106.16 unknown via CMAUP database
> Benzenoids / Naphthalenes
2-Acetylnaphthalene 7122 Click to see CC(=O)C1=CC2=CC=CC=C2C=C1 170.21 unknown via CMAUP database
> Benzenoids / Phenol ethers / Anisoles
(2S,3S)-2-methyl-3-(2,4,5-trimethoxyphenyl)oxirane 101009520 Click to see CC1C(O1)C2=CC(=C(C=C2OC)OC)OC 224.25 unknown https://doi.org/10.1016/S0031-9422(00)97975-5
(Z)-Isoelemicin 5851118 Click to see CC=CC1=CC(=C(C(=C1)OC)OC)OC 208.25 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
1,2,3-Trimethoxy-5-(1E)-1-propen-1-ylbenzene; (E)-Isoelemicin; 1,2,3-Trimethoxy-5-((E)-prop-1-enyl)benzene; 1,2,3-Trimethoxy-5-[(1E)-1-propenyl]benzene 78932 Click to see CC=CC1=CC(=C(C(=C1)OC)OC)OC 208.25 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 10264377 Click to see COC1=C(C=CC(=C1)CCCO)OC(CO)CO 256.29 unknown via CMAUP database
2-Methyl-3-(2,4,5-trimethoxyphenyl)oxirane 101689827 Click to see CC1C(O1)C2=CC(=C(C=C2OC)OC)OC 224.25 unknown https://doi.org/10.1016/S0031-9422(00)97975-5
3-(3,4,5-Trimethoxyphenyl)propan-1-ol 6428843 Click to see COC1=CC(=CC(=C1OC)OC)CCCO 226.27 unknown https://doi.org/10.1016/J.BMCL.2012.08.016
alpha-Asarone 636822 Click to see CC=CC1=CC(=C(C=C1OC)OC)OC 208.25 unknown https://doi.org/10.1248/YAKUSHI1881.1926.531_380
https://doi.org/10.1016/S0031-9422(00)97975-5
https://doi.org/10.1248/YAKUSHI1947.90.11_1367
https://doi.org/10.1002/PTR.2650090604
Azaron 17903 Click to see CC=CC1=CC(=C(C=C1OC)OC)OC 208.25 unknown https://doi.org/10.1016/S0031-9422(00)97975-5
https://doi.org/10.1021/JF035204O
https://doi.org/10.1248/YAKUSHI1947.90.11_1367
https://doi.org/10.1055/S-0028-1097281
https://doi.org/10.1248/YAKUSHI1881.1926.531_380
beta-Asarone 5281758 Click to see CC=CC1=CC(=C(C=C1OC)OC)OC 208.25 unknown https://doi.org/10.1016/S0031-9422(00)97975-5
https://doi.org/10.1021/JF035204O
https://doi.org/10.1248/YAKUSHI1947.90.11_1367
https://doi.org/10.1002/PTR.2650090604
Elemicin 10248 Click to see COC1=CC(=CC(=C1OC)OC)CC=C 208.25 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
Estragole 8815 Click to see COC1=CC=C(C=C1)CC=C 148.20 unknown via CMAUP database
gamma-Asarone 636750 Click to see COC1=CC(=C(C=C1CC=C)OC)OC 208.25 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
https://doi.org/10.1016/S0031-9422(00)97975-5
Isoelemicin 5318557 Click to see CC=CC1=CC(=C(C(=C1)OC)OC)OC 208.25 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
> Benzenoids / Phenols / Methoxyphenols
2-Allyl-5-ethoxy-4-methoxyphenol 596924 Click to see CCOC1=C(C=C(C(=C1)O)CC=C)OC 208.25 unknown via CMAUP database
3-(4-Hydroxy-3-methoxyphenyl)-prop-2-enol 9983 Click to see COC1=C(C=CC(=C1)C=CCO)O 180.20 unknown https://doi.org/10.1016/J.BMCL.2012.08.016
Chavibetol 596375 Click to see COC1=C(C=C(C=C1)CC=C)O 164.20 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
cis-Coniferyl alcohol 1549094 Click to see COC1=C(C=CC(=C1)C=CCO)O 180.20 unknown https://doi.org/10.1016/J.BMCL.2012.08.016
Coniferyl alcohol 1549095 Click to see COC1=C(C=CC(=C1)C=CCO)O 180.20 unknown via CMAUP database
Eugenol 3314 Click to see COC1=C(C=CC(=C1)CC=C)O 164.20 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
N-Trans-feruloyltramine 5280537 Click to see COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O 313.30 unknown https://doi.org/10.1016/J.BMCL.2012.08.016
> Benzenoids / Phenols / Tyrosols and derivatives / Tyrosols
Hydroxytyrosol 82755 Click to see C1=CC(=C(C=C1CCO)O)O 154.16 unknown via CMAUP database
Tyrosol 10393 Click to see C1=CC(=CC=C1CCO)O 138.16 unknown via CMAUP database
> Hydrocarbons / Polycyclic hydrocarbons
(-)-Isoledene 91873614 Click to see CC1CCC2C(C2(C)C)C3=C1CCC3C 204.35 unknown via CMAUP database
(1aR,4R,7R,7bS)-1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa[e]azulene 15431199 Click to see CC1CCC2C(C2(C)C)C3=C1CCC3C 204.35 unknown via CMAUP database
Isoledene 530426 Click to see CC1CCC2C(C2(C)C)C3=C1CCC3C 204.35 unknown via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
gamma-Terpinene 7461 Click to see CC1=CCC(=CC1)C(C)C 136.23 unknown via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Cyclic olefins / Azulenes
Azulene 9231 Click to see C1=CC=C2C=CC=C2C=C1 128.17 unknown via CMAUP database
> Lignans, neolignans and related compounds
(-)-(7R,8R)-Virolin 51536521 Click to see CC=CC1=CC(=C(C=C1)OC(C)C(C2=CC(=C(C=C2)OC)OC)O)OC 358.40 unknown https://doi.org/10.1021/NP200541M
(-)-Surinamensinol A 70687027 Click to see CC(C(C1=CC(=C(C(=C1)OC)OC)OC)O)OC2=C(C=C(C=C2)CCCO)OC 406.50 unknown https://doi.org/10.1016/J.BMCL.2012.08.016
(1R,2R)-1-(3,4-dimethoxyphenyl)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]propan-1-ol 57393621 Click to see CC=CC1=CC(=C(C(=C1)OC)OC(C)C(C2=CC(=C(C=C2)OC)OC)O)OC 388.50 unknown https://doi.org/10.1021/NP200541M
(1R,2R)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methylphenoxy]propane-1,3-diol 163017391 Click to see CC1=C(C=CC(=C1)CCCO)OC(CO)C(C2=CC(=C(C=C2)O)OC)O 362.40 unknown https://doi.org/10.1021/NP200541M
(1R,2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-ol 132038 Click to see CC=CC1=CC(=C(C(=C1)OC)OC(C)C(C2=CC(=C(C(=C2)OC)OC)OC)O)OC 418.50 unknown https://doi.org/10.1021/NP200541M
(1R,2R)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol 6439400 Click to see CC=CC1=CC(=C(C(=C1)OC)OC(C)C(C2=CC(=C(C(=C2)OC)OC)OC)O)OC 418.50 unknown https://doi.org/10.1021/NP200541M
(1S,2R)-1-(3-Methoxy-4-hydroxyphenyl)-2-[2,6-dimethoxy-4-(3-hydroxypropyl)phenoxy]-1,3-propanediol 21574506 Click to see COC1=CC(=CC(=C1OC(CO)C(C2=CC(=C(C=C2)O)OC)O)OC)CCCO 408.40 unknown https://doi.org/10.1016/J.BMCL.2012.08.016
(1S,2R)-1-(3,4,5-Trimethoxyphenyl)-2-[2,6-dimethoxy-4-(1-propenyl)phenoxy]propane-1-ol 44559993 Click to see CC=CC1=CC(=C(C(=C1)OC)OC(C)C(C2=CC(=C(C(=C2)OC)OC)OC)O)OC 418.50 unknown via CMAUP database
(1S,2R)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol 70695433 Click to see CC(C(C1=CC(=C(C(=C1)OC)OC)OC)O)OC2=C(C=C(C=C2)CCCO)OC 406.50 unknown https://doi.org/10.1016/J.BMCL.2012.08.016
(1S,2S)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methylphenoxy]propane-1,3-diol 163017390 Click to see CC1=C(C=CC(=C1)CCCO)OC(CO)C(C2=CC(=C(C=C2)O)OC)O 362.40 unknown https://doi.org/10.1021/NP200541M
(7S,8S)-4,7,9,9'-Tetrahydroxy-3,3'-dimethoxy-8-O-4'-neolignan 10691049 Click to see COC1=C(C=CC(=C1)CCCO)OC(CO)C(C2=CC(=C(C=C2)O)OC)O 378.40 unknown https://doi.org/10.1021/NP200541M
Ligraminol D 56599266 Click to see COC1=C(C=C(C=C1)CC(CO)OC2=C(C=C(C=C2)CCCO)OC)OC 376.40 unknown https://doi.org/10.1021/NP200541M
Ligraminol E 56600272 Click to see COC1=C(C=CC(=C1)CCCO)OC(CC2=CC(=C(C=C2)O)OC)CO 362.40 unknown https://doi.org/10.1021/NP200541M
Surinamensin 5281868 Click to see CC=CC1=CC(=C(C=C1)OC(C)C(C2=CC(=C(C(=C2)OC)OC)OC)O)OC 388.50 unknown https://doi.org/10.1021/NP200541M
Threo-1-(4-hydroxy-3-methoxyphenyl)-2-(4-(3-hydroxypropyl)-2-methoxyphenoxy)-1,3-propanediol 13893598 Click to see COC1=C(C=CC(=C1)CCCO)OC(CO)C(C2=CC(=C(C=C2)O)OC)O 378.40 unknown https://doi.org/10.1021/NP200541M
> Lignans, neolignans and related compounds / Cyclobutane lignans
Magnosalin 10454589 Click to see CC1C(C(C1C2=CC(=C(C=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC)C 416.50 unknown https://doi.org/10.1016/J.BMCL.2012.08.016
> Lignans, neolignans and related compounds / Furanoid lignans
(+)-Eudesmin 73117 Click to see COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC)OC)OC 386.40 unknown via CMAUP database
(3R,3aS,6R,6aS)-3,6-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan 325601 Click to see COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC)OC)OC 386.40 unknown via CMAUP database
Eudesmin 234823 Click to see COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC)OC)OC 386.40 unknown via CMAUP database
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,7-epoxylignans
(-)-Galbacin 11175182 Click to see CC1C(C(OC1C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5)C 340.40 unknown via CMAUP database
(+)-Galbacin 442873 Click to see CC1C(C(OC1C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5)C 340.40 unknown via CMAUP database
(2R,3R,4R,5S)-2,5-Bis-(3,4-dimethoxy-phenyl)-3,4-dimethyl-tetrahydro-furan 44340797 Click to see CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC)C 372.50 unknown https://doi.org/10.1021/NP200541M
(2R,3R,4R)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane 102004935 Click to see CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC)C 372.50 unknown via CMAUP database
2-(3,4-Dimethoxyphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane 76372598 Click to see CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C(=C3)OC)OC)OC)C 402.50 unknown https://doi.org/10.1021/NP200541M
2,5-Bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane 609882 Click to see CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC)C 372.50 unknown https://doi.org/10.1021/NP200541M
5-Methoxygalbelgin 57390105 Click to see CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C(=C3)OC)OC)OC)C 402.50 unknown https://doi.org/10.1021/NP200541M
Galbacin 234441 Click to see CC1C(C(OC1C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5)C 340.40 unknown via CMAUP database
Galgravin 101749 Click to see CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC)C 372.50 unknown via CMAUP database
Ganschisandrin 11975478 Click to see CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC)C 372.50 unknown https://doi.org/10.1021/NP200541M
Ligraminol A 56599264 Click to see CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C(=C3)OC)OC)OC)C 402.50 unknown https://doi.org/10.1021/NP200541M
Veraguensin 443026 Click to see CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC)C 372.50 unknown https://doi.org/10.1021/NP200541M
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,8-epoxylignans
Magnosalicin 442895 Click to see CC1C(C(OC1C2=CC(=C(C=C2OC)OC)OC)C)C3=CC(=C(C=C3OC)OC)OC 432.50 unknown via CMAUP database
Rel-Magnosalicin 70682799 Click to see CC1C(C(OC1C2=CC(=C(C=C2OC)OC)OC)C)C3=CC(=C(C=C3OC)OC)OC 432.50 unknown https://doi.org/10.1016/J.BMCL.2012.08.016
> Lignans, neolignans and related compounds / Lignan glycosides
ligraminol B 56600271 Click to see COC1=CC(=CC(=C1O)OC)C2C(C(C(O2)C3=CC(=C(C(=C3)OC)O)OC)COC4C(C(C(C(O4)CO)O)O)O)CO 598.60 unknown https://doi.org/10.1021/NP200541M
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
Palmitic Acid 985 Click to see CCCCCCCCCCCCCCCC(=O)O 256.42 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
Nonanoic acid 8158 Click to see CCCCCCCCC(=O)O 158.24 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes
(Z)-9-Hexadecenal 5364643 Click to see CCCCCCC=CCCCCCCCC=O 238.41 unknown via CMAUP database
9-Hexadecenal 5283375 Click to see CCCCCCC=CCCCCCCCC=O 238.41 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
9,12-Octadecadienoic acid 3931 Click to see CCCCCC=CCC=CCCCCCCCC(=O)O 280.40 unknown via CMAUP database
9,12-Octadecadienoic acid, (E,Z)- 5282798 Click to see CCCCCC=CCC=CCCCCCCCC(=O)O 280.40 unknown via CMAUP database
9Z,12E-octadecadienoic acid 5282797 Click to see CCCCCC=CCC=CCCCCCCCC(=O)O 280.40 unknown via CMAUP database
Linoelaidic acid 5282457 Click to see CCCCCC=CCC=CCCCCCCCC(=O)O 280.40 unknown via CMAUP database
Linoleic Acid 5280450 Click to see CCCCCC=CCC=CCCCCCCCC(=O)O 280.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
beta-OCIMENE, (3E)- 5281553 Click to see CC(=CCC=C(C)C=C)C 136.23 unknown via CMAUP database
beta-Ocimene, (3Z)- 5320250 Click to see CC(=CCC=C(C)C=C)C 136.23 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 CC(=CCCC(C)(C=C)O)C 154.25 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
Linalool, (+/-)- 6549 Click to see CC(=CCCC(C)(C=C)O)C 154.25 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
p-CYMENE 7463 Click to see CC1=CC=C(C=C1)C(C)C 134.22 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(-)-(1S,4S)-Borneol 6850744 Click to see CC1(C2CCC1(C(C2)O)C)C 154.25 unknown via CMAUP database
(-)-beta-Pinene 440967 Click to see CC1(C2CCC(=C)C1C2)C 136.23 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
(-)-Camphene 440966 Click to see CC1(C2CCC(C2)C1=C)C 136.23 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
(-)-Camphor 444294 Click to see CC1(C2CCC1(C(=O)C2)C)C 152.23 unknown via CMAUP database
(+)-alpha-Pinene 82227 Click to see CC1=CCC2CC1C2(C)C 136.23 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
(+)-Camphene 92221 Click to see CC1(C2CCC(C2)C1=C)C 136.23 unknown via CMAUP database
(+)-Camphor 9543187 Click to see CC1(C2CCC1(C(=O)C2)C)C 152.23 unknown via CMAUP database
(1R,2S,4R)-Borneol 439568 Click to see CC1(C2CCC1(C(C2)O)C)C 154.25 unknown via CMAUP database
(1S-endo)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol 10049 Click to see CC1(C2CCC1(C(C2)O)C)C 154.25 unknown via CMAUP database
(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol 12242815 Click to see CC1(C2CCC1(C(C2)O)C)C 154.25 unknown via CMAUP database
(1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane 101629835 Click to see CC1CCC2(C1C2)C(C)C 138.25 unknown via CMAUP database
(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene 12223113 Click to see CC1=CCC2CC1C2(C)C 136.23 unknown via CMAUP database
(4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one 23308299 Click to see CC1(C2CCC1(C(=O)C2)C)C 152.23 unknown via CMAUP database
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol 64685 Click to see CC1(C2CCC1(C(C2)O)C)C 154.25 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
alpha-PINENE 6654 Click to see CC1=CCC2CC1C2(C)C 136.23 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
beta-Pinene 14896 Click to see CC1(C2CCC(=C)C1C2)C 136.23 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, exo- 439569 Click to see CC1(C2CCC1(C(C2)O)C)C 154.25 unknown via CMAUP database
Borneo camphor 12242824 Click to see CC1(C2CCC1(C(C2)O)C)C 154.25 unknown via CMAUP database
Borneol 6552009 Click to see CC1(C2CCC1(C(C2)O)C)C 154.25 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
Borneol, (-)- 1201518 Click to see CC1(C2CCC1(C(C2)O)C)C 154.25 unknown via CMAUP database
Camphene 6616 Click to see CC1(C2CCC(C2)C1=C)C 136.23 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
Camphor 2537 Click to see CC1(C2CCC1(C(=O)C2)C)C 152.23 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
Camphor (synthetic) 159055 Click to see CC1(C2CCC1(C(=O)C2)C)C 152.23 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
Camphor, (1S,4S)-(-)- 10050 Click to see CC1(C2CCC1(C(=O)C2)C)C 152.23 unknown via CMAUP database
d-Borneol 61060 Click to see CC1(C2CCC1(C(C2)O)C)C 154.25 unknown via CMAUP database
d-Camphor 230921 Click to see CC1(C2CCC1(C(=O)C2)C)C 152.23 unknown via CMAUP database
DL-Borneol 10492 Click to see CC1(C2CCC1(C(C2)O)C)C 154.25 unknown via CMAUP database
Juniperol 6432447 Click to see CC1(CCCC2(C3C1C(C2(CC3)C)O)C)C 222.37 unknown via CMAUP database
L-Born-2-yl acetate 44630108 Click to see CC(=O)OC1CC2CCC1(C2(C)C)C 196.29 unknown via CMAUP database
Sumatra camphor 657014 Click to see CC1(C2CCC1(C(C2)O)C)C 154.25 unknown via CMAUP database
trans-Borneol 44630107 Click to see CC1(C2CCC1(C(C2)O)C)C 154.25 unknown via CMAUP database
Zierone 91752839 Click to see CC1CCC(=O)C(=C(C)C)C2=C(CCC12)C 218.33 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
(-)-alpha-Terpineol 443162 Click to see CC1=CCC(CC1)C(C)(C)O 154.25 unknown via CMAUP database
(-)-Terpinen-4-ol 5325830 Click to see CC1=CCC(CC1)(C(C)C)O 154.25 unknown via CMAUP database
(+)-Terpinen-4-ol 2724161 Click to see CC1=CCC(CC1)(C(C)C)O 154.25 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
3-Ethenyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-one 163067096 Click to see CC(C)C1CCC(C(C1=O)C(=C)C)C=C 206.32 unknown https://doi.org/10.1055/S-0028-1097281
4-Terpineol, (+/-)- 11230 Click to see CC1=CCC(CC1)(C(C)C)O 154.25 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
Alpha-Terpineol 17100 Click to see CC1=CCC(CC1)C(C)(C)O 154.25 unknown via CMAUP database
Limonene, (-)- 439250 Click to see CC1=CCC(CC1)C(=C)C 136.23 unknown via CMAUP database
Limonene, (+)- 440917 Click to see CC1=CCC(CC1)C(=C)C 136.23 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
Limonene, (+/-)- 22311 Click to see CC1=CCC(CC1)C(=C)C 136.23 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(-)-Isolongifolene 11127402 Click to see CC1(CCC=C2C13CCC(C3)C2(C)C)C 204.35 unknown via CMAUP database
(+)-alpha-Longipinene 520957 Click to see CC1=CCC2C3C1C2(CCCC3(C)C)C 204.35 unknown via CMAUP database
(+)-alpha-Muurolene 12306049 Click to see CC1=CC2C(CC1)C(=CCC2C(C)C)C 204.35 unknown via CMAUP database
(+)-beta-Amorphene 25202382 Click to see CC1=CCC2C(C1)C(CC=C2C)C(C)C 204.35 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
(+)-beta-Caryophyllene 20831623 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
(+)-Calamenene 11298625 Click to see CC1CCC(C2=C1C=CC(=C2)C)C(C)C 202.33 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
(+)-gamma-Cadinene 6432404 Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C 204.35 unknown via CMAUP database
(+)-Longicyclene 16217633 Click to see CC1(CCCC2(C3C1C4C2(C4C3)C)C)C 204.35 unknown via CMAUP database
(+)-Longifolene 1796220 Click to see CC1(CCCC2(C3C1C(C2=C)CC3)C)C 204.35 unknown via CMAUP database
(+)-T-Cadinol 91752279 Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C 222.37 unknown via CMAUP database
(+)(-)-(E)-beta-caryophyllene 14757966 Click to see CC1(CC2C1CCC(=C)CCCC2=C)C 204.35 unknown via CMAUP database
(1R,2S,6S,7S,8R)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene 50919054 Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C 204.35 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
(1R,4R)-1,4-dimethyl-7-propan-2-ylidene-1,2,3,4,5,8-hexahydroazulen-6-one 15800986 Click to see CC1CCC2=C1CC(=C(C)C)C(=O)CC2C 218.33 unknown via CMAUP database
(1S,3aS,4S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene 91748784 Click to see CC1CCC(C=C2C1CCC2C)C(=C)C 204.35 unknown via CMAUP database
(1S,4S)-1,4-dimethyl-7-propan-2-ylidene-1,2,3,4,5,8-hexahydroazulen-6-one 91752790 Click to see CC1CCC2=C1CC(=C(C)C)C(=O)CC2C 218.33 unknown via CMAUP database
(9S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane 75530194 Click to see CC1(CCCC2(C3C1C4C2(C4C3)C)C)C 204.35 unknown via CMAUP database
(Z)-caryophyllene 6429301 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown via CMAUP database
1-Isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene 521380 Click to see CC1=CCC2C(C1)C(CC=C2C)C(C)C 204.35 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-, (1S-(1alpha,2alpha,3abeta,4alpha,8abeta,9R*))- 71311545 Click to see CC1(CCCC2(C3C1C4C2(C4C3)C)C)C 204.35 unknown via CMAUP database
1,2,4a,5,6,8a-Hexahydro-1-isopropyl-4,7-dimethylnaphthalene 101708 Click to see CC1=CC2C(CC1)C(=CCC2C(C)C)C 204.35 unknown via CMAUP database
1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)- 23204 Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C 204.35 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
1,6-Dimethyl-4-isopropyltetralin 10224 Click to see CC1CCC(C2=C1C=CC(=C2)C)C(C)C 202.33 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
3,4-Dihydrocadalene 528708 Click to see CC1=CCC(C2=C1C=CC(=C2)C)C(C)C 200.32 unknown via CMAUP database
4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenol 519662 Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C 222.37 unknown via CMAUP database
alpha-Cadinol #1 6431302 Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C 222.37 unknown via CMAUP database
beta-Cadinene 10657 Click to see CC1=CCC2C(C1)C(CC=C2C)C(C)C 204.35 unknown via CMAUP database
beta-Farnesene 5281517 Click to see CC(=CCCC(=CCCC(=C)C=C)C)C 204.35 unknown via CMAUP database
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)- 26318 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
Calamenene 6429077 Click to see CC1CCC(C2=C1C=CC(=C2)C)C(C)C 202.33 unknown via CMAUP database
Caryophyllene 5281515 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown via CMAUP database
Caryophyllene,alpha + beta mixt. 5354499 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown via CMAUP database
Cedrelanol 160799 Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C 222.37 unknown via CMAUP database
Copaene 19725 Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C 204.35 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
Cuparene 86895 Click to see CC1=CC=C(C=C1)C2(CCCC2(C)C)C 202.33 unknown via CMAUP database
Curlone 196216 Click to see CC(CC(=O)C=C(C)C)C1CCC(=C)C=C1 218.33 unknown via CMAUP database
Dehydroxy-isocalamendiol 535379 Click to see CC1CC=C(C2(C1CCC(=C)C2)O)C(C)C 220.35 unknown via CMAUP database
delta-Cadinene 12306054 Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C 204.35 unknown via CMAUP database
gamma-Gurjunene 90805 Click to see CC1CCC(C=C2C1CCC2C)C(=C)C 204.35 unknown via CMAUP database
Humulene 5281520 Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C 204.35 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
Isocalamendiol 12302240 Click to see CC(C)C1CCC(C2C1(CC(=C)CC2)O)(C)O 238.37 unknown via CMAUP database
Longicyclene 564934 Click to see CC1(CCCC2(C3C1C4C2(C4C3)C)C)C 204.35 unknown via CMAUP database
Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)-, (1alpha,4aalpha,8aalpha)- 6432308 Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C 204.35 unknown via CMAUP database
Naphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-(1-methylethyl)- 519298 Click to see CC1CCC(C2C1=CCC(=C2)C)C(C)C 204.35 unknown via CMAUP database
Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)- 12306059 Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C 204.35 unknown via CMAUP database
tau-Muurolol 6432221 Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C 222.37 unknown via CMAUP database
Toluene, p-(1,2,2-trimethylcyclopentyl)-, (R)-(+)- 11084908 Click to see CC1=CC=C(C=C1)C2(CCCC2(C)C)C 202.33 unknown via CMAUP database
Torreyol 11990360 Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C 222.37 unknown via CMAUP database
trans-Calamenene 6429022 Click to see CC1CCC(C2=C1C=CC(=C2)C)C(C)C 202.33 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aristolane sesquiterpenoids
(+)-Aristolone 12305213 Click to see CC1CCCC2=CC(=O)C3C(C12C)C3(C)C 218.33 unknown via CMAUP database
1H-Cyclopropa(a)naphthalene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aR-(1aalpha,7alpha,7aalpha,7balpha))- 15560278 Click to see CC1CCC=C2C1(C3C(C3(C)C)CC2)C 204.35 unknown via CMAUP database
1H-Cyclopropa[a]naphthalene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)-(+)- 6432176 Click to see CC1CCC=C2C1(C3C(C3(C)C)CC2)C 204.35 unknown via CMAUP database
Aristolone 165536 Click to see CC1CCCC2=CC(=O)C3C(C12C)C3(C)C 218.33 unknown via CMAUP database
Calarene 28481 Click to see CC1CCC=C2C1(C3C(C3(C)C)CC2)C 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
(-)-Alloaromadendrene 10899740 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown via CMAUP database
(-)-alpha-Gurjunene 521243 Click to see CC1CCC2C(C2(C)C)C3=C(CCC13)C 204.35 unknown via CMAUP database
(+)-Alloaromadendrene 21775889 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown via CMAUP database
(+)-Aromadendrene 11095734 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown via CMAUP database
(1aR,4aS,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol 9794468 Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 unknown via CMAUP database
(1aS,4aS,7aS,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene 91746456 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown via CMAUP database
1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, (1aR,4aS,7R,7aR,7bS)-(-)- 44584667 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown via CMAUP database
Allo-Aromadendrene 42608158 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown via CMAUP database
Alloaromadendren 91746537 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown via CMAUP database
Aromadendrene 91354 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown via CMAUP database
beta-Diploalbicene 177445 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown via CMAUP database
Squamulosone 636442 Click to see CC1CCC2=C(C(=O)CC3C(C12)C3(C)C)C 218.33 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Cedrane and isocedrane sesquiterpenoids
1H-3a,7-Methanoazulen-5(4H)-one, hexahydro-3,6,8,8-tetramethyl- 111402 Click to see CC1CCC2C13CC(C2(C)C)C(C(=O)C3)C 220.35 unknown via CMAUP database
alpha-Cedrene 6431015 Click to see CC1CCC2C13CC=C(C(C3)C2(C)C)C 204.35 unknown via CMAUP database
Cedrol 65575 Click to see CC1CCC2C13CCC(C(C3)C2(C)C)(C)O 222.37 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids
[1R-[1alpha,3alpha,4beta]]-4-Ethenyl-alpha,alpha,4-trimethyl-3-[1-methylethenyl]cyclohexanemethanol 11064030 Click to see CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O 222.37 unknown via CMAUP database
Beta-Elemene 6918391 Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C 204.35 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)- 9859094 Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C 204.35 unknown via CMAUP database
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-rel- 10583 Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C 204.35 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
Shyobunone 5321293 Click to see CC(C)C1CCC(C(C1=O)C(=C)C)(C)C=C 220.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
(6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one 9794438 Click to see CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C 218.33 unknown via CMAUP database
Eremophilene 12309744 Click to see CC1CCC=C2C1(CC(CC2)C(=C)C)C 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene 519361 Click to see CC(=C)C1CCC2(CCCC(=C)C2C1)C 204.35 unknown via CMAUP database
beta-Selinene 442393 Click to see CC(=C)C1CCC2(CCCC(=C)C2C1)C 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
(+)-germacrene D 24771782 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown via CMAUP database
(1E)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene 74764030 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown via CMAUP database
(1Z)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene 92003564 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown via CMAUP database
(6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene 49796490 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown via CMAUP database
1-Methyl-5-methylene-8-(1-methylethyl)-1,6-cyclodecadiene 6436582 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown via CMAUP database
1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-, [s-(E,E)]- 5373727 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown via CMAUP database
Germacrene D 5317570 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
Tataroside 102317241 Click to see CC1=CC2C(CCC(=CCC1OC3C(C(C(C(O3)CO)O)O)O)CO)C(C(=O)O2)(C)O 444.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives
Cycloartenone 12305360 Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C 424.70 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids
2-Azaniumylacetate 5257127 Click to see C(C(=O)[O-])[NH3+] 75.07 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Aspartic acid and derivatives
[3H]L-aspartic acid 44367445 Click to see C(C(C(=O)O)[NH3+])C(=O)[O-] 133.10 unknown via CMAUP database
2-Azaniumyl-4-hydroxy-4-oxobutanoate 57397078 Click to see C(C(C(=O)[O-])[NH3+])C(=O)O 133.10 unknown via CMAUP database
D-Aspartic acid 83887 Click to see C(C(C(=O)O)N)C(=O)O 133.10 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Glutamic acid and derivatives
(2S)-2-amino-5-hydroxy-5-oxopentanoate;hydron 88747398 Click to see [H+].C(CC(=O)O)C(C(=O)[O-])N 147.13 unknown via CMAUP database
2-Azaniumyl-5-hydroxy-5-oxopentanoate 57397101 Click to see C(CC(=O)O)C(C(=O)[O-])[NH3+] 147.13 unknown via CMAUP database
D-glutamic acid 23327 Click to see C(CC(=O)O)C(C(=O)O)N 147.13 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Amino acids and derivatives / Gamma amino acids and derivatives
4-Aminobutanoate 6992099 Click to see C(CC(=O)[O-])C[NH3+] 103.12 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / N-acyl-alpha amino acids
N-Oleoylsarcosine 5879967 Click to see CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)O 353.50 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclic alcohols and derivatives
(1R,2R,8S,10S)-10-hydroxy-2,6,6-trimethyltricyclo[6.2.1.01,5]undecan-7-one 91747434 Click to see CC1CCC2C13CC(CC3O)C(=O)C2(C)C 222.32 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
7-Octen-3-ol, 3,7-dimethyl- 557859 Click to see CCC(C)(CCCC(=C)C)O 156.26 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes
5-Hydroxymethylfurfural 237332 Click to see C1=C(OC(=C1)C=O)CO 126.11 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
(-)-Acorenone 12480741 Click to see CC1CCC(C12CC=C(C(=O)C2)C)C(C)C 220.35 unknown via CMAUP database
2-Acetaxyacorenone 10850234 Click to see CC1CC(C(C12CC=C(C(=O)C2)C)C(C)C)OC(=O)C 278.40 unknown via CMAUP database
Acoronene 15558294 Click to see CC1CC(=O)C(C12CC=C(C(=O)C2)C)C(C)C 234.33 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
3-Decanone 13576 Click to see CCCCCCCC(=O)CC 156.26 unknown via CMAUP database
3-Octanone 246728 Click to see CCCCCC(=O)CC 128.21 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
1-(2,4,5-Trimethoxyphenyl)propan-1-one 700861 Click to see CCC(=O)C1=CC(=C(C=C1OC)OC)OC 224.25 unknown via CMAUP database
1-(3,4-Dimethoxyphenyl)propan-1-one 15781 Click to see CCC(=O)C1=CC(=C(C=C1)OC)OC 194.23 unknown via CMAUP database
3-Hydroxy-1-(4-hydroxyphenyl)propan-1-one 638759 Click to see C1=CC(=CC=C1C(=O)CCO)O 166.17 unknown https://doi.org/10.1016/J.BMCL.2012.08.016
Aspidinol 122841 Click to see CCCC(=O)C1=C(C(=C(C=C1O)OC)C)O 224.25 unknown via CMAUP database
> Organoheterocyclic compounds / Benzodioxoles
Safrole 5144 Click to see C=CCC1=CC2=C(C=C1)OCO2 162.18 unknown https://doi.org/10.1248/YAKUSHI1947.90.11_1367
> Organoheterocyclic compounds / Oxanes
Eucalyptol 2758 Click to see CC1(C2CCC(O1)(CC2)C)C 154.25 unknown via CMAUP database
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
Dihydrodehydrodiconiferyl alcohol 384679 Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CCCO 360.40 unknown via CMAUP database
Tataramide B 100916556 Click to see COC1=CC(=CC2=C1OC(C2C(=O)NCCC3=CC=C(C=C3)O)C4=CC(=C(C=C4)O)OC)C=CC(=O)NCCC5=CC=C(C=C5)O 624.70 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamaldehydes
4-Methoxycinnamaldehyde 641294 Click to see COC1=CC=C(C=C1)C=CC=O 162.18 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives
(S)-trans-N-Feruloyloctopamine 10042201 Click to see COC1=C(C=CC(=C1)C=CC(=O)NCC(C2=CC=C(C=C2)O)O)O 329.30 unknown https://doi.org/10.1016/J.BMCL.2012.08.016
n-cis-Feruloyltyramine 6440659 Click to see COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O 313.30 unknown https://doi.org/10.1016/J.BMCL.2012.08.016
N-feruloyltyramine; Moupinamide 125213 Click to see COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O 313.30 unknown https://doi.org/10.1016/J.BMCL.2012.08.016
N-trans-Feruloyloctopamine 24096391 Click to see COC1=C(C=CC(=C1)C=CC(=O)NCC(C2=CC=C(C=C2)O)O)O 329.30 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
(Z)-3,4-Dimethoxycinnamic acid 1585026 Click to see COC1=C(C=C(C=C1)C=CC(=O)O)OC 208.21 unknown via CMAUP database
3,4-Dimethoxycinnamic acid 717531 Click to see COC1=C(C=C(C=C1)C=CC(=O)O)OC 208.21 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamyl alcohols
Acoramol 70682800 Click to see COC1=CC(=C(C=C1C=CCO)OC)OC 224.25 unknown https://doi.org/10.1016/J.BMCL.2012.08.016
CID 54339416 54339416 Click to see COC1=CC(=C(C=C1C=CCO)OC)OC 224.25 unknown https://doi.org/10.1016/J.BMCL.2012.08.016
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
Apigenin 6-C-alpha-L-arabinopyranoside-8-C-beta-D-glucopyranoside 44257699 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
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
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 20055286 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 594.50 unknown via CMAUP database
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 24211973 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 594.50 unknown via CMAUP database
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one 12313332 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 594.50 unknown via CMAUP database
Kaempferol-3-O-rutinoside 5318767 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 594.50 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-(-L-rhamnopyranosyl)-beta-D-glucopyranoside 45479322 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O 578.50 unknown via CMAUP database
Apigenin 7-O-neohesperidoside 5459217 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O 578.50 unknown via CMAUP database
Apigenin-7-O-neohesperidoside 5483904 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O 578.50 unknown via CMAUP database
Rhoifolin 5282150 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O 578.50 unknown via CMAUP database
Rhoifolin [17306-46-6] 45933935 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O 578.50 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
Isokaempferide 5280862 Click to see COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O 300.26 unknown via CMAUP database
> Phenylpropanoids and polyketides / Phenylpropanoic acids
(R)-1-(4-Methoxyphenyl)allylacetate 101047096 Click to see COC1=CC=C(C=C1)C(CC(=O)[O-])C=C 205.23 unknown via CMAUP database
(S)-1-(4-Methoxyphenyl)allylacetate 101047097 Click to see COC1=CC=C(C=C1)C(CC(=O)[O-])C=C 205.23 unknown via CMAUP database

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