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Angelica acutiloba

Angelica acutiloba - Unknown
Part: Unknown
Author: Public Domain - WikiMedia
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Table of Contents

Details
Description
Synonyms
Common Names
Subtypes (subspecies, varieties, subvarieties, forms)
Germination/Propagation
Distribution
Links to other databases
Genome
Scientific Literature
Phytochemical Profile
Biological Material
Contributors
Collections

Details Top

Internal ID UUID6440096062e9f486106478
Scientific name Angelica acutiloba
Authority (Siebold & Zucc.) Kitag.
First published in Bot. Mag. (Tokyo) 51: 658 (1937)

Description Top

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No description added yet. Help us by writing one.

Synonyms Top

Scientific name Authority First published in
Sium triternatum Miq. Ann. Mus. Bot. Lugduno-Batavi 3: 57 (1867)
Apium ternatum Siebold Verh. Batav. Genootsch. Kunsten 12: 46 (1830)
Ligusticum acutilobum Siebold & Zucc. Abh. Math.-Phys. Cl. Königl. Bayer. Akad. Wiss. 4(2): 203 (1845)
Angelica acutiloba var. sugiyamae Hikino Acta Phytotax. Geobot. 17: 84 (1958)
Angelica acutiloba var. tsukubana Hikino Acta Phytotax. Geobot. 17: 84 (1958)

Common names Top

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Language Common/alternative name
Japanese ニホントウキ
Japanese 当帰
Japanese 東当帰
Japanese トウキ
Chinese 日本当归
Chinese 东当归
Chinese 东当归（日本当归）
Chinese 福参叶
Chinese 延边当归
Chinese 東當歸

Subspecies (abbr. subsp./ssp.) Top

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No subspecies added yet.

Varieties (abbr. var.) Top

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Name Authority First published in
Angelica acutiloba var. iwatensis (Kitag.) Hikino Acta Phytotax. Geobot. 17: 84 (1958)
Angelica acutiloba var. lineariloba (Kitag.) Hikino Acta Phytotax. Geobot. 17: 84 1958

Subvarieties (abbr. subvar.) Top

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No subvariety added yet.

Forms (abbr. f.) Top

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Name Authority First published in
Angelica acutiloba f. lanceolata (Tatew.) Watan. & Kawano J. Jap. Bot. 38: 90 1963

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

Links to other databases Top

Suggest others/fix!
Database ID/link to page
World Flora Online wfo-0000536076
UNII 61617L0028
Tropicos 1700293
KEW urn:lsid:ipni.org:names:837548-1
The Plant List kew-2638973
Open Tree Of Life 944552
NCBI Taxonomy 55605
IPNI 837548-1
iNaturalist 922164
GBIF 5537879
Freebase /m/0j9nt9k
EPPO ANKAC
USDA GRIN 3414
Wikipedia Angelica_acutiloba
CMAUP NPO2921

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
Suppressive effect of Yokukansan on glutamate released from canine keratinocytes Kasuga Y, Hu A, Kawakami Z, Tabuchi M, Yamaguchi T, Kobayashi H, Ikeda S Open Vet J 29-Feb-2024
PMCID:PMC10970127
doi:10.5455/OVJ.2024.v14.i2.8
PMID:38549576
Therapeutic potential of clinically proven natural products in the management of dementia Ansari F, Sohel M, Haidary MM, Mostaq MS, Akter S, Nahar A, Labony FZ, Ahmed A, Hasan MS, Babu MH, Amin MN Heliyon 27-Feb-2024
PMCID:PMC10963206
doi:10.1016/j.heliyon.2024.e27233
PMID:38533051
Three-tiered authentication of herbal traditional Chinese medicine ingredients used in women’s health provides progressive qualitative and quantitative insight Mück F, Scotti F, Mauvisseau Q, Thorbek BL, Wangensteen H, de Boer HJ Front Pharmacol 05-Feb-2024
PMCID:PMC10875096
doi:10.3389/fphar.2024.1353434
PMID:38375033
Analgesic Effect of the Kampo Formula Yokukansan via the Suppression of Substance P in an Experimental Rat Model of Hunner-Type Interstitial Cystitis Tsunokawa Y, Tsukada M, Inoue T, Tamaoka M, Mugita T, Chuluunbat O, Maeda Y, Fukagai T, Ogawa Y, Sunagawa M Cureus 14-Jan-2024
PMCID:PMC10862183
doi:10.7759/cureus.52238
PMID:38352105
Kamishoyosan and Kamikihito protect against decreased KCC2 expression induced by the P. gingivalis lipopolysaccharide treatment in PC-12 cells and improve behavioral abnormalities in male mice Tomita K, Oohara Y, Igarashi K, Kitanaka J, Kitanaka N, Tanaka KI, Roudkenar MH, Roushandeh AM, Sugimura M, Sato T Heliyon 25-Nov-2023
PMCID:PMC10711140
doi:10.1016/j.heliyon.2023.e22784
PMID:38090003
Didymella acutilobae sp. nov. Causing Leaf Spot and Stem Rot in Angelica acutiloba Lee GB, Kim KD, Cho WD, Kim WG Mycobiology 12-Oct-2023
PMCID:PMC10621254
doi:10.1080/12298093.2023.2254052
PMID:37929002
Ninjinyoeito Prevents Onset of Depression-Like Behavior and Reduces Hippocampal iNOS Expression in Senescence-Accelerated Mouse Prone 8 Mice Taniguchi C, Watanabe T, Hirata M, Hatae A, Kubota K, Katsurabayashi S, Iwasaki K Evid Based Complement Alternat Med 09-Aug-2023
PMCID:PMC10432024
doi:10.1155/2023/2151004
PMID:37593014
A Narrative Review of the Herbal Preparation of Ayurvedic, Traditional Chinese, and Kampō Medicines Applied as Radioprotectors Ibáñez B, Melero A, Montoro A, Merino-Torres JF, Soriano JM, San Onofre N Antioxidants (Basel) 17-Jul-2023
PMCID:PMC10376155
doi:10.3390/antiox12071437
PMID:37507975
Decursinol Angelate Inhibits Glutamate Dehydrogenase 1 Activity and Induces Intrinsic Apoptosis in MDR-CRC Cells Chang SN, Kang SC Cancers (Basel) 08-Jul-2023
PMCID:PMC10377166
doi:10.3390/cancers15143541
PMID:37509203
Network medicine framework identified drug-repurposing opportunities of pharmaco-active compounds of Angelica acutiloba (Siebold & Zucc.) Kitag. for skin aging Mo J, Li Z, Chen H, Lu Z, Ding B, Yuan X, Liu Y, Zhu W Aging (Albany NY) 12-Jun-2023
PMCID:PMC10292898
doi:10.18632/aging.204789
PMID:37310405
Suspected cutaneous adverse drug reactions reported with traditional medicines: analysis of data for United Nations Asia region from WHO VigiBase Barvaliya MJ, Chetan AC, Chandan N, Ray SK, Hegde HV, Unger BS, Patel TK, Roy S Front Pharmacol 30-May-2023
PMCID:PMC10261983
doi:10.3389/fphar.2023.1088841
PMID:37324461
Comparative study of the effects of the three kinds of Kampo-hozai: Ninjinyoeito, Hochuekkito, and Juzentaihoto on anxious and low sociability behavior using NPY-knockout zebrafish Kawabe M, Nishida T, Takahashi R, Inui A, Shiozaki K Front Pharmacol 30-May-2023
PMCID:PMC10267730
doi:10.3389/fphar.2023.1168229
PMID:37324500
Apiaceae Medicinal Plants in China: A Review of Traditional Uses, Phytochemistry, Bolting and Flowering (BF), and BF Control Methods Li M, Li M, Wang L, Li M, Wei J Molecules 27-May-2023
PMCID:PMC10254214
doi:10.3390/molecules28114384
PMID:37298861
Screening for Neuroprotective and Rapid Antidepressant-like Effects of 20 Essential Oils Tran KN, Nguyen NP, Nguyen LT, Shin HM, Yang IJ Biomedicines 23-Apr-2023
PMCID:PMC10215971
doi:10.3390/biomedicines11051248
PMID:37238920
Inhibitory effect of Bofutsushosan (Fangfengtongshengsan) extract on the absorption of fructose in rats and mice Takagi K, Sugihira T, Kitamura M, Kawai M, Mitsuguchi Y, Tsukamoto K, Nakanishi H, Makino T J Nat Med 11-Apr-2023
PMCID:PMC10227168
doi:10.1007/s11418-023-01697-8
PMID:37040005

Phytochemical Profile Top

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Below are displayed the proven (via scientific papers) natural compounds!
You can also contribute to this by clicking here.
Name PubChem ID Canonical SMILES MW Found in Proof
> Benzenoids / Benzene and substituted derivatives
Ethyl mandelate 13050 Click to see CCOC(=O)C(C1=CC=CC=C1)O 180.20 unknown via CMAUP database
Pentylbenzene 10864 Click to see CCCCCC1=CC=CC=C1 148.24 unknown via CMAUP database
Trimethylbenzene 10686 Click to see CC1=C(C(=CC=C1)C)C 120.19 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / 2-phenoxypropionic acids / Aryloxyphenoxypropionic acids
XK-469 free acid, (R)- 3246729 Click to see CC(C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=CC(=CC3=N2)Cl 344.70 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives
N-Formyl-4-hydroxybenzamide 71370414 Click to see C1=CC(=CC=C1C(=O)NC=O)O 165.15 unknown via CMAUP database
N-Formylbenzamide 151196 Click to see C1=CC=C(C=C1)C(=O)NC=O 149.15 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzamides
4-Hydroxybenzamide 65052 Click to see C1=CC(=CC=C1C(=O)N)O 137.14 unknown via CMAUP database
N-[(S)-2-Hydroxy-2-phenylethyl]benzamide 6542363 Click to see C1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2)O 241.28 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
Allyl benzoate 11406 Click to see C=CCOC(=O)C1=CC=CC=C1 162.18 unknown via CMAUP database
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 / Benzoic acids
Phthalic acid 1017 Click to see C1=CC=C(C(=C1)C(=O)O)C(=O)O 166.13 unknown via CMAUP database
Phthalic Acid-d4 16212019 Click to see C1=CC=C(C(=C1)C(=O)O)C(=O)O 170.15 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
3,4-Dihydroxybenzoic acid 72 Click to see C1=CC(=C(C=C1C(=O)O)O)O 154.12 unknown via CMAUP database
4-Hydroxybenzoic acid 135 Click to see C1=CC(=CC=C1C(=O)O)O 138.12 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
Vanillic Acid 8468 Click to see COC1=C(C=CC(=C1)C(=O)O)O 168.15 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
2,3,6-Trimethylbenzaldehyde 10236014 Click to see CC1=C(C(=C(C=C1)C)C=O)C 148.20 unknown via CMAUP database
2,4,5-Trimethylbenzaldehyde 22013 Click to see CC1=CC(=C(C=C1C)C=O)C 148.20 unknown via CMAUP database
2,4,6-Trimethylbenzaldehyde 10254 Click to see CC1=CC(=C(C(=C1)C)C=O)C 148.20 unknown via CMAUP database
2,5-Dimethylbenzaldehyde 22015 Click to see CC1=CC(=C(C=C1)C)C=O 134.17 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Cumenes
3-Isopropylbenzaldehyde 520680 Click to see CC(C)C1=CC=CC(=C1)C=O 148.20 unknown via CMAUP database
o-Cymene 10703 Click to see CC1=CC=CC=C1C(C)C 134.22 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Methoxybenzenes / Dimethoxybenzenes
3,5-Dimethoxytoluene 77844 Click to see CC1=CC(=CC(=C1)OC)OC 152.19 unknown via CMAUP database
Methyleugenol 7127 Click to see COC1=C(C=C(C=C1)CC=C)OC 178.23 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylacetaldehydes
Phenylacetaldehyde 998 Click to see C1=CC=C(C=C1)CC=O 120.15 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Styrenes
3,5-Dimethylstyrene 21476 Click to see CC1=CC(=CC(=C1)C=C)C 132.20 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 / Fluorenes
Fluorene 6853 Click to see C1C2=CC=CC=C2C3=CC=CC=C31 166.22 unknown via CMAUP database
> Benzenoids / Naphthalenes
1,3-Dimethylnaphthalene 11327 Click to see CC1=CC2=CC=CC=C2C(=C1)C 156.22 unknown via CMAUP database
2-Methylnaphthalene 7055 Click to see CC1=CC2=CC=CC=C2C=C1 142.20 unknown via CMAUP database
Naphthalene 931 Click to see C1=CC=C2C=CC=CC2=C1 128.17 unknown via CMAUP database
> Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids
4-Pentylphenol 26975 Click to see CCCCCC1=CC=C(C=C1)O 164.24 unknown via CMAUP database
> Benzenoids / Phenols / Methoxyphenols
2-Methoxy-4-propylphenol 17739 Click to see CCCC1=CC(=C(C=C1)O)OC 166.22 unknown via CMAUP database
2-Methoxy-4-vinylphenol 332 Click to see COC1=C(C=CC(=C1)C=C)O 150.17 unknown via CMAUP database
4-Ethyl-2-methoxyphenol 62465 Click to see CCC1=CC(=C(C=C1)O)OC 152.19 unknown via CMAUP database
cis-Isoeugenol 1549041 Click to see CC=CC1=CC(=C(C=C1)O)OC 164.20 unknown via CMAUP database
Guaiacol 460 Click to see COC1=CC=CC=C1O 124.14 unknown via CMAUP database
Isoeugenol 853433 Click to see CC=CC1=CC(=C(C=C1)O)OC 164.20 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 / Saturated hydrocarbons / Alkanes
Decane 15600 Click to see CCCCCCCCCC 142.28 unknown via CMAUP database
Dodecane 8182 Click to see CCCCCCCCCCCC 170.33 unknown via CMAUP database
Heptane 8900 Click to see CCCCCCC 100.20 unknown via CMAUP database
Hexadecane 11006 Click to see CCCCCCCCCCCCCCCC 226.44 unknown via CMAUP database
Nonacosane 12409 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCC 408.80 unknown via CMAUP database
Nonane 8141 Click to see CCCCCCCCC 128.25 unknown via CMAUP database
Octane 356 Click to see CCCCCCCC 114.23 unknown via CMAUP database
Pentadecane 12391 Click to see CCCCCCCCCCCCCCC 212.41 unknown via CMAUP database
Tetradecane 12389 Click to see CCCCCCCCCCCCCC 198.39 unknown via CMAUP database
Tridecane 12388 Click to see CCCCCCCCCCCCC 184.36 unknown via CMAUP database
Undecane 14257 Click to see CCCCCCCCCCC 156.31 unknown via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes / Branched alkanes
2-Methyldecane 23415 Click to see CCCCCCCCC(C)C 156.31 unknown via CMAUP database
2-Methylnonane 13379 Click to see CCCCCCCC(C)C 142.28 unknown via CMAUP database
2-Methyloctane 18591 Click to see CCCCCCC(C)C 128.25 unknown via CMAUP database
2,4,6-Trimethylheptane 137658 Click to see CC(C)CC(C)CC(C)C 142.28 unknown via CMAUP database
3-Methylnonane 22202 Click to see CCCCCCC(C)CC 142.28 unknown via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
(-)-alpha-Alaskene 524815 Click to see CC1CCC(=C(C)C)C12CCC(=CC2)C 204.35 unknown via CMAUP database
(1R,2R,6S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecane 6427472 Click to see CC12CCC(=C)C(C1)C3(C2(CCC3)C)C 204.35 unknown via CMAUP database
(1R,4R,5S)-1,8-Dimethyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-ene 13743810 Click to see CC1CCC(C12CCC(=CC2)C)C(=C)C 204.35 unknown via CMAUP database
1,5,5,6-Tetramethyl-1,3-cyclohexadiene 10581 Click to see CC1C(=CC=CC1(C)C)C 136.23 unknown via CMAUP database
2,4,6-Trimethyl-1,3,6-heptadiene 291990 Click to see CC(=C)CC(=CC(=C)C)C 136.23 unknown via CMAUP database
2,4,6-Trimethyl-1,3,6-heptatriene 5368777 Click to see CC(=C)CC(=CC(=C)C)C 136.23 unknown via CMAUP database
Acoradiene 90351 Click to see CC1CCC(C12CCC(=CC2)C)C(=C)C 204.35 unknown via CMAUP database
alpha-Alaskene 6428487 Click to see CC1CCC(=C(C)C)C12CCC(=CC2)C 204.35 unknown via CMAUP database
alpha-Myrcene 519324 Click to see CC(=C)CCCC(=C)C=C 136.23 unknown via CMAUP database
Aromadendrene, dehydro- 589433 Click to see CC1CC=C2C1C3C(C3(C)C)CCC2=C 202.33 unknown via CMAUP database
gamma-Terpinene 7461 Click to see CC1=CCC(=CC1)C(C)C 136.23 unknown via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Enynes
2-Nonen-4-yne, (E)- 5367387 Click to see CCCCC#CC=CC 122.21 unknown via CMAUP database
2-Nonen-4-yne, (Z)- 5367386 Click to see CCCCC#CC=CC 122.21 unknown via CMAUP database
5-Undecen-3-yne 5367385 Click to see CCCCCC=CC#CCC 150.26 unknown via CMAUP database
5-Undecen-3-yne, (Z)- 5367414 Click to see CCCCCC=CC#CCC 150.26 unknown via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Acyclic olefins / Alkatrienes
(3E,5Z)-undeca-1,3,5-triene 5352367 Click to see CCCCCC=CC=CC=C 150.26 unknown via CMAUP database
(E,E,E)-2,4,6-Octatriene 5368766 Click to see CC=CC=CC=CC 108.18 unknown via CMAUP database
1,3,5-Undecatriene 5367412 Click to see CCCCCC=CC=CC=C 150.26 unknown via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Cyclic olefins / Cycloalkenes
(R)-6-Butyl-1,4-cycloheptadiene 11804943 Click to see CCCCC1CC=CCC=C1 150.26 unknown via CMAUP database
6-Butyl-1,4-cycloheptadiene 556470 Click to see CCCCC1CC=CCC=C1 150.26 unknown via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Unsaturated aliphatic hydrocarbons
(E)-5-Tetradecene 5353013 Click to see CCCCCCCCC=CCCCC 196.37 unknown via CMAUP database
(E)-5-Undecene 5364447 Click to see CCCCCC=CCCCC 154.29 unknown via CMAUP database
(Z)-5-Undecene 5364488 Click to see CCCCCC=CCCCC 154.29 unknown via CMAUP database
5-Tetradecene, (Z)- 5353012 Click to see CCCCCCCCC=CCCCC 196.37 unknown via CMAUP database
5-Undecene 136588 Click to see CCCCCC=CCCCC 154.29 unknown via CMAUP database
7-Hexadecene 5352264 Click to see CCCCCCCCC=CCCCCCC 224.42 unknown via CMAUP database
7-Hexadecene, (Z)- 5364564 Click to see CCCCCCCCC=CCCCCCC 224.42 unknown via CMAUP database
8-Heptadecane 520230 Click to see CCCCCCCCC=CCCCCCCC 238.50 unknown via CMAUP database
8-Heptadecene 5364555 Click to see CCCCCCCCC=CCCCCCCC 238.50 unknown via CMAUP database
8Z-Heptadecene 5352243 Click to see CCCCCCCCC=CCCCCCCC 238.50 unknown via CMAUP database
Amyl Amylen 88039 Click to see CCCCCC=CCCC 140.27 unknown via CMAUP database
cis-4-Decene 5364504 Click to see CCCCCC=CCCC 140.27 unknown via CMAUP database
Tetradec-9-ene 521035 Click to see CCCCCCCCC=CCCCC 196.37 unknown via CMAUP database
trans-4-Decene 5364458 Click to see CCCCCC=CCCC 140.27 unknown via CMAUP database
> Lignans, neolignans and related compounds / Cyclobutane lignans
(3beta,4alpha-Diphenylcyclobutane-1beta,2alpha-diyl)bis[(2,4-dihydroxyphenyl)methanone] 102228233 Click to see C1=CC=C(C=C1)C2C(C(C2C(=O)C3=C(C=C(C=C3)O)O)C(=O)C4=C(C=C(C=C4)O)O)C5=CC=CC=C5 480.50 unknown via CMAUP database
> Lignans, neolignans and related compounds / Furanoid lignans
4-[(3R,3aS,6R,6aS)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol 70695728 Click to see COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)O 356.40 unknown via CMAUP database
Piperitol 10247670 Click to see COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)O 356.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
(2-Pentadecyl-1,3-dioxolan-4-yl)methyl palmitate 631084 Click to see CCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCCCCCCCCCCCCCC 552.90 unknown via CMAUP database
2-Methylbutyl hexanoate 102855 Click to see CCCCCC(=O)OCC(C)CC 186.29 unknown via CMAUP database
Butyl heptanoate 21596 Click to see CCCCCCC(=O)OCCCC 186.29 unknown via CMAUP database
Butyl hexanoate 12294 Click to see CCCCCC(=O)OCCCC 172.26 unknown via CMAUP database
Butyl octanoate 11517 Click to see CCCCCCCC(=O)OCCCC 200.32 unknown via CMAUP database
Isopropyl hexanoate 16832 Click to see CCCCCC(=O)OC(C)C 158.24 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
Methyl hexanoate 7824 Click to see CCCCCC(=O)OC 130.18 unknown via CMAUP database
Methyl palmitate 8181 Click to see CCCCCCCCCCCCCCCC(=O)OC 270.50 unknown via CMAUP database
Methyl pentadecanoate 23518 Click to see CCCCCCCCCCCCCCC(=O)OC 256.42 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Branched fatty acids / Methyl-branched fatty acids
(R)-2-Methylbutanoic acid 6950479 Click to see CCC(C)C(=O)O 102.13 unknown via CMAUP database
(S)-2-methylbutanoic acid 448893 Click to see CCC(C)C(=O)O 102.13 unknown via CMAUP database
2-Methylbutanoic acid 8314 Click to see CCC(C)C(=O)O 102.13 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
2-Dodecyl-3-methylbutanedioic acid 99891 Click to see CCCCCCCCCCCCC(C(C)C(=O)O)C(=O)O 300.40 unknown via CMAUP database
Oleic Acid 445639 Click to see CCCCCCCCC=CCCCCCCCC(=O)O 282.50 unknown via CMAUP database
Palmitic Acid 985 Click to see CCCCCCCCCCCCCCCC(=O)O 256.42 unknown via CMAUP database
Pentadecanoic acid 13849 Click to see CCCCCCCCCCCCCCC(=O)O 242.40 unknown via CMAUP database
trans-13-Octadecenoic acid 6161490 Click to see CCCCC=CCCCCCCCCCCCC(=O)O 282.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
Capric Acid 2969 Click to see CCCCCCCCCC(=O)O 172.26 unknown via CMAUP database
Octanoic acid 379 Click to see CCCCCCCC(=O)O 144.21 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Straight chain fatty acids
Butyrate 104775 Click to see CCCC(=O)[O-] 87.10 unknown via CMAUP database
Butyric Acid 264 Click to see CCCC(=O)O 88.11 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
(R)-4-Tetradecanol 13109011 Click to see CCCCCCCCCCC(CCC)O 214.39 unknown via CMAUP database
(S)-4-Tetradecanol 50930589 Click to see CCCCCCCCCCC(CCC)O 214.39 unknown via CMAUP database
1-Dodecanol 8193 Click to see CCCCCCCCCCCCO 186.33 unknown via CMAUP database
3-Undecanol 98970 Click to see CCCCCCCCC(CC)O 172.31 unknown via CMAUP database
4-Tetradecanol 33740 Click to see CCCCCCCCCCC(CCC)O 214.39 unknown via CMAUP database
6-Undecanol 32045 Click to see CCCCCC(CCCCC)O 172.31 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
(3S,8R,9E)-heptadeca-1,9-dien-4,6-diyne-3,8-diol 91973785 Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O 260.40 unknown via CMAUP database
(3S,9E)-heptadeca-1,9-dien-4,6-diyn-3-ol 71308196 Click to see CCCCCCCC=CCC#CC#CC(C=C)O 244.37 unknown via CMAUP database
(8S,9Z)-Heptadeca-1,9-diene-4,6-diyne-3,8-diol 46887429 Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O 260.40 unknown via CMAUP database
(E,R)-Heptadeca-1,9-dien-4,6-diyne-3-ol 56935896 Click to see CCCCCCCC=CCC#CC#CC(C=C)O 244.37 unknown via CMAUP database
(E)-Hexadec-11-en-1-ol 5352278 Click to see CCCCC=CCCCCCCCCCCO 240.42 unknown via CMAUP database
(E)-hexadec-2-en-1-ol 5362706 Click to see CCCCCCCCCCCCCC=CCO 240.42 unknown via CMAUP database
(R)-2-Pentadecanol 92167723 Click to see CCCCCCCCCCCCCC(C)O 228.41 unknown via CMAUP database
(S)-2-Pentadecanol 92170845 Click to see CCCCCCCCCCCCCC(C)O 228.41 unknown via CMAUP database
(Z)-11-Hexadecen-1-ol 5283305 Click to see CCCCC=CCCCCCCCCCCO 240.42 unknown via CMAUP database
1-Pentadecanol 12397 Click to see CCCCCCCCCCCCCCCO 228.41 unknown via CMAUP database
1-Tetradecanol 8209 Click to see CCCCCCCCCCCCCCO 214.39 unknown via CMAUP database
1-Tridecanol 8207 Click to see CCCCCCCCCCCCCO 200.36 unknown via CMAUP database
1,9-Heptadecadiene-4,6-diyne-3,8-diol 6436239 Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O 260.40 unknown via CMAUP database
11-Hexadecen-1-ol, (11Z)- 41965 Click to see CCCCC=CCCCCCCCCCCO 240.42 unknown via CMAUP database
2-Pentadecanol 96687 Click to see CCCCCCCCCCCCCC(C)O 228.41 unknown via CMAUP database
Cetyl Alcohol 2682 Click to see CCCCCCCCCCCCCCCCO 242.44 unknown via CMAUP database
cis-(-)-Heptadeca-1,9-dien-4,6-diyn-3-ol 5353620 Click to see CCCCCCCC=CCC#CC#CC(C=C)O 244.37 unknown via CMAUP database
Falcalindiol 56935895 Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O 260.40 unknown via CMAUP database
Falcarindiol 5281148 Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O 260.40 unknown via CMAUP database
Falcarinol 5281149 Click to see CCCCCCCC=CCC#CC#CC(C=C)O 244.37 unknown via CMAUP database
Heptadeca-1,9-dien-4,6-diyn-3-ol 3322 Click to see CCCCCCCC=CCC#CC#CC(C=C)O 244.37 unknown via CMAUP database
Heptadeca-1,9-dien-4,6-diyne-3,8-diol 5283263 Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O 260.40 unknown via CMAUP database
Heptadeca-1,9-diene-4,6-diyne-3,8-diol 5317309 Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O 260.40 unknown via CMAUP database
Panaxynol 5469789 Click to see CCCCCCCC=CCC#CC#CC(C=C)O 244.37 unknown via CMAUP database
Panaxynol; Carotatoxin 3321 Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O 260.40 unknown via CMAUP database
Stearyl Alcohol 8221 Click to see CCCCCCCCCCCCCCCCCCO 270.50 unknown via CMAUP database
Z-7-Tetradecenol 5362795 Click to see CCCCCCC=CCCCCCCO 212.37 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes
Pentadecanal 17697 Click to see CCCCCCCCCCCCCCC=O 226.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty amides
9-Octadecenamide 1930 Click to see CCCCCCCCC=CCCCCCCCC(=O)N 281.50 unknown via CMAUP database
Elaidamide 5353370 Click to see CCCCCCCCC=CCCCCCCCC(=O)N 281.50 unknown via CMAUP database
Oleamide 5283387 Click to see CCCCCCCCC=CCCCCCCCC(=O)N 281.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty amides / N-acyl amines
[16-[[(2S)-4-amino-2-hydroxybutyl]-(3-aminopropyl)amino]-16-oxohexadecyl] (1'S,2S,7S)-2-ethyl-6'-[(4R)-4-hydroxypentyl]spiro[5,6-dihydro-2H-oxepine-7,10'-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene]-5'-carboxylate 101374728 Click to see CCC1C=CCCC2(O1)CC3CCC4=C(C(=NC(=N2)N34)CCCC(C)O)C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CC(CCN)O 799.10 unknown https://doi.org/10.1248/CPB.35.4460
> 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
Linolenic Acid 5280934 Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O 278.40 unknown via CMAUP database
methyl (9E,12Z)-octadeca-9,12-dienoate 5462988 Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC 294.50 unknown via CMAUP database
Methyl linoleate 5284421 Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC 294.50 unknown via CMAUP database
Methyl linolelaidate 5362793 Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC 294.50 unknown via CMAUP database
Methyl octadeca-9,12-dienoate 8203 Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC 294.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids
2,6,10,14-Tetramethylheptadecane 29036 Click to see CCCC(C)CCCC(C)CCCC(C)CCCC(C)C 296.60 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
(E,Z)-2,6-Dimethylocta-2,4,6-triene 5371125 Click to see CC=C(C)C=CC=C(C)C 136.23 unknown via CMAUP database
2,4,6-Octatriene, 2,6-dimethyl-, (4Z,6Z)- 5317469 Click to see CC=C(C)C=CC=C(C)C 136.23 unknown via CMAUP database
2,6-Dimethyl-2,4,6-octatriene 5368821 Click to see CC=C(C)C=CC=C(C)C 136.23 unknown via CMAUP database
beta-CITRONELLOL, (+/-)- 8842 Click to see CC(CCC=C(C)C)CCO 156.26 unknown via CMAUP database
beta-Ocimene 18756 Click to see CC(=CCC=C(C)C=C)C 136.23 unknown via CMAUP database
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
D-Citronellol 101977 Click to see CC(CCC=C(C)C)CCO 156.26 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 via CMAUP database
Linalool, (+/-)- 6549 Click to see CC(=CCCC(C)(C=C)O)C 154.25 unknown via CMAUP database
Linalyl acetate 8294 Click to see CC(=CCCC(C)(C=C)OC(=O)C)C 196.29 unknown via CMAUP database
Myrcene 31253 Click to see CC(=CCCC(=C)C=C)C 136.23 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
4-Isopropylbenzyl alcohol 325 Click to see CC(C)C1=CC=C(C=C1)CO 150.22 unknown via CMAUP database
p-CYMENE 7463 Click to see CC1=CC=C(C=C1)C(C)C 134.22 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(-)-2-Carene 6430755 Click to see CC1=CC2C(C2(C)C)CC1 136.23 unknown via CMAUP database
(-)-3-Carene 442461 Click to see CC1=CCC2C(C1)C2(C)C 136.23 unknown via CMAUP database
(-)-Camphene 440966 Click to see CC1(C2CCC(C2)C1=C)C 136.23 unknown via CMAUP database
(-)-Myrtenal 1201529 Click to see CC1(C2CC=C(C1C2)C=O)C 150.22 unknown via CMAUP database
(-)-Sabinene 11051711 Click to see CC(C)C12CCC(=C)C1C2 136.23 unknown via CMAUP database
(-)-Verbenone 92874 Click to see CC1=CC(=O)C2CC1C2(C)C 150.22 unknown via CMAUP database
(+)-2-Carene 78249 Click to see CC1=CC2C(C2(C)C)CC1 136.23 unknown via CMAUP database
(+)-3-Carene 443156 Click to see CC1=CCC2C(C1)C2(C)C 136.23 unknown via CMAUP database
(+)-alpha-Pinene 82227 Click to see CC1=CCC2CC1C2(C)C 136.23 unknown via CMAUP database
(+)-Bornyl acetate 6950274 Click to see CC(=O)OC1CC2CCC1(C2(C)C)C 196.29 unknown via CMAUP database
(+)-Camphene 92221 Click to see CC1(C2CCC(C2)C1=C)C 136.23 unknown via CMAUP database
(1R,2S,4R)-(+)-Bornyl acetate 443131 Click to see CC(=O)OC1CC2CCC1(C2(C)C)C 196.29 unknown via CMAUP database
(1S,2R,4S)-(-)-Bornyl acetate 442460 Click to see CC(=O)OC1CC2CCC1(C2(C)C)C 196.29 unknown via CMAUP database
(1S,3R,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol 12314318 Click to see CC1(C2CC1C(=C)C(C2)O)C 152.23 unknown via CMAUP database
(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene 12223113 Click to see CC1=CCC2CC1C2(C)C 136.23 unknown via CMAUP database
2-Carene 79044 Click to see CC1=CC2C(C2(C)C)CC1 136.23 unknown via CMAUP database
3-Carene 26049 Click to see CC1=CCC2C(C1)C2(C)C 136.23 unknown via CMAUP database
6,6-Dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate 102553 Click to see CC(=O)OC1CC2CC(C1=C)C2(C)C 194.27 unknown via CMAUP database
alpha-Bergamotenol 5368743 Click to see CC1=CCC2CC1C2(C)CCC=C(C)CO 220.35 unknown via CMAUP database
alpha-Fenchene 28930 Click to see CC1(C2CCC1C(=C)C2)C 136.23 unknown via CMAUP database
alpha-PINENE 6654 Click to see CC1=CCC2CC1C2(C)C 136.23 unknown via CMAUP database
alpha-Pinene oxide 91508 Click to see CC1(C2CC1C3(C(C2)O3)C)C 152.23 unknown via CMAUP database
beta-Pinene 14896 Click to see CC1(C2CCC(=C)C1C2)C 136.23 unknown via CMAUP database
Bicyclo(4.1.0)hept-2-ene, 3,7,7-trimethyl-, (1S-cis)- 12302456 Click to see CC1=CC2C(C2(C)C)CC1 136.23 unknown via CMAUP database
Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)- 17868 Click to see CC1=CCC2(C1C2)C(C)C 136.23 unknown via CMAUP database
Bornyl acetate 6448 Click to see CC(=O)OC1CC2CCC1(C2(C)C)C 196.29 unknown via CMAUP database
Bornyl acetate, (-)- 93009 Click to see CC(=O)OC1CC2CCC1(C2(C)C)C 196.29 unknown via CMAUP database
Camphene 6616 Click to see CC1(C2CCC(C2)C1=C)C 136.23 unknown via CMAUP database
Camphenone, 6- 185753 Click to see CC1(C2CC(C1=C)C(=O)C2)C 150.22 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
Myrtanol 521314 Click to see CC1(C2CCC(C1C2)CO)C 154.25 unknown via CMAUP database
Myrtanyl acetate 119852 Click to see CC(=O)OCC1CCC2CC1C2(C)C 196.29 unknown via CMAUP database
Myrtenal 61130 Click to see CC1(C2CC=C(C1C2)C=O)C 150.22 unknown via CMAUP database
Myrtenol 10582 Click to see CC1(C2CC=C(C1C2)CO)C 152.23 unknown via CMAUP database
Myrtenol, (-)- 88301 Click to see CC1(C2CC=C(C1C2)CO)C 152.23 unknown via CMAUP database
Pinocarveol 102667 Click to see CC1(C2CC1C(=C)C(C2)O)C 152.23 unknown via CMAUP database
Pinocarveol, trans-(-)- 1201530 Click to see CC1(C2CC1C(=C)C(C2)O)C 152.23 unknown via CMAUP database
Pinocarvyl acetate, trans-(-)- 12858461 Click to see CC(=O)OC1CC2CC(C1=C)C2(C)C 194.27 unknown via CMAUP database
Sabinen 18818 Click to see CC(C)C12CCC(=C)C1C2 136.23 unknown via CMAUP database
Sabinene 10887971 Click to see CC(C)C12CCC(=C)C1C2 136.23 unknown via CMAUP database
trans-alpha-Bergamotol 91747487 Click to see CC1=CCC2CC1C2(C)CCC=C(C)CO 220.35 unknown via CMAUP database
trans-Sabinol 6429076 Click to see CC(C)C12CC1C(=C)C(C2)O 152.23 unknown via CMAUP database
Tricyclene 79035 Click to see CC1(C2CC3C1(C3C2)C)C 136.23 unknown via CMAUP database
Verbenone 29025 Click to see CC1=CC(=O)C2CC1C2(C)C 150.22 unknown via CMAUP database
Verbenone, (+)- 65724 Click to see CC1=CC(=O)C2CC1C2(C)C 150.22 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
(-)-cis-Carveol 330573 Click to see CC1=CCC(CC1O)C(=C)C 152.23 unknown via CMAUP database
(-)-Terpinen-4-ol 5325830 Click to see CC1=CCC(CC1)(C(C)C)O 154.25 unknown via CMAUP database
(-)-trans-Carveol 94221 Click to see CC1=CCC(CC1O)C(=C)C 152.23 unknown via CMAUP database
(+)-alpha-Phellandrene 443160 Click to see CC1=CCC(C=C1)C(C)C 136.23 unknown via CMAUP database
(+)-cis-Carveol 443177 Click to see CC1=CCC(CC1O)C(=C)C 152.23 unknown via CMAUP database
(+)-Terpinen-4-ol 2724161 Click to see CC1=CCC(CC1)(C(C)C)O 154.25 unknown via CMAUP database
(+)-trans-Carveol 443178 Click to see CC1=CCC(CC1O)C(=C)C 152.23 unknown via CMAUP database
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6S)-rel- 85567 Click to see CC1=CC(C(CC1)C(C)C)O 154.25 unknown via CMAUP database
4-Terpineol, (+/-)- 11230 Click to see CC1=CCC(CC1)(C(C)C)O 154.25 unknown via CMAUP database
alpha-PHELLANDRENE 7460 Click to see CC1=CCC(C=C1)C(C)C 136.23 unknown via CMAUP database
alpha-Terpinene 7462 Click to see CC1=CC=C(CC1)C(C)C 136.23 unknown via CMAUP database
Alpha-Terpineol 17100 Click to see CC1=CCC(CC1)C(C)(C)O 154.25 unknown via CMAUP database
Beta-Phellandrene 11142 Click to see CC(C)C1CCC(=C)C=C1 136.23 unknown via CMAUP database
Carveol 7438 Click to see CC1=CCC(CC1O)C(=C)C 152.23 unknown via CMAUP database
Carveol, (-)- 11084068 Click to see CC1=CCC(CC1O)C(=C)C 152.23 unknown via CMAUP database
Carvone, (+)- 16724 Click to see CC1=CCC(CC1=O)C(=C)C 150.22 unknown via CMAUP database
Cyclohexene, 4-methyl-1-(1-methylethyl)- 10369 Click to see CC1CCC(=CC1)C(C)C 138.25 unknown via CMAUP database
Cyclohexene, 4-methyl-1-(1-methylethyl)-, (R)- 23616903 Click to see CC1CCC(=CC1)C(C)C 138.25 unknown via CMAUP database
Isopulegone 34645 Click to see CC1CCC(C(=O)C1)C(=C)C 152.23 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 via CMAUP database
Limonene, (+/-)- 22311 Click to see CC1=CCC(CC1)C(=C)C 136.23 unknown via CMAUP database
p-Menth-1-en-3-ol 10282 Click to see CC1=CC(C(CC1)C(C)C)O 154.25 unknown via CMAUP database
p-MENTH-8-EN-3-ONE, trans- 6432305 Click to see CC1CCC(C(=O)C1)C(=C)C 152.23 unknown via CMAUP database
p-Mentha-1,3,8-triene 176983 Click to see CC1=CC=C(CC1)C(=C)C 134.22 unknown via CMAUP database
p-Mentha-1,5-dien-8-ol 519323 Click to see CC1=CCC(C=C1)C(C)(C)O 152.23 unknown via CMAUP database
p-Mentha-1(7),2-dien-8-ol 522161 Click to see CC(C)(C1CCC(=C)C=C1)O 152.23 unknown via CMAUP database
Terpinolene 11463 Click to see CC1=CCC(=C(C)C)CC1 136.23 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Monocyclic monoterpenoids
2-(2,2,3-Trimethylcyclopent-3-en-1-yl)acetaldehyde 98497 Click to see CC1=CCC(C1(C)C)CC=O 152.23 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(-)-alpha-Cuprenene 12304250 Click to see CC1=CC=C(CC1)C2(CCCC2(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
(+)-Cyclosativene 519960 Click to see CC(C)C1CCC2(C3C1C4C2(C4C3)C)C 204.35 unknown via CMAUP database
(+)-Nerolidol 5356544 Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 unknown via CMAUP database
(+)-Thujopsene 11401461 Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C 204.35 unknown via CMAUP database
(+)(-)-(E)-beta-caryophyllene 14757966 Click to see CC1(CC2C1CCC(=C)CCCC2=C)C 204.35 unknown via CMAUP database
(1S,2S,3R,4S,6R,7R,8S)-1,2-Dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane 16212927 Click to see CC(C)C1CCC2(C3C1C4C2(C4C3)C)C 204.35 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
(E)-beta-farnesene 10407 Click to see CC(=CCCC(=CCCC(=C)C=C)C)C 204.35 unknown via CMAUP database
(E)-Thujopsene 91749973 Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C 204.35 unknown via CMAUP database
(Z)-caryophyllene 6429301 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown via CMAUP database
1-Methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene 403919 Click to see CC1=CCC(CC1)C(=C)CCC=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
1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, [3aS-(3aalpha,3bbeta,4beta,7alpha,7aS*)]- 6432083 Click to see CC1CCC(C2C13C2C(=C)CC3)C(C)C 204.35 unknown via CMAUP database
2-[(3r,5s,8r)-3,8-Dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol 72607 Click to see CC1CCC(CC2=C1CCC2C)C(C)(C)O 222.37 unknown via CMAUP database
2-[(3R,6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol 161437 Click to see CC1CCC=C(C12CCC(C2)C(C)(C)O)C 222.37 unknown via CMAUP database
3-((1S)-1,5-Dimethyl-4-hexenyl)-6-methylene-1-cyclohexene, (3R)- 91746521 Click to see CC(CCC=C(C)C)C1CCC(=C)C=C1 204.35 unknown via CMAUP database
4,11,11-Trimethyl-8-methylene-5-oxatricyclo(8.2.0.0(4,6))dodecane, (1R,4R,6R,10S)- 6604672 Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C 220.35 unknown via CMAUP database
6,10,14-Trimethylpentadecan-2-one 10408 Click to see CC(C)CCCC(C)CCCC(C)CCCC(=O)C 268.50 unknown via CMAUP database
Agarospirol 21675005 Click to see CC1CCC=C(C12CCC(C2)C(C)(C)O)C 222.37 unknown via CMAUP database
alpha-Bulnesene 6432384 Click to see CC1CCC2=C(CCC(CC12)C(=C)C)C 204.35 unknown via CMAUP database
Alpha-Farnesene 5281516 Click to see CC(=CCCC(=CCC=C(C)C=C)C)C 204.35 unknown via CMAUP database
beta-Bisabolene 10104370 Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C 204.35 unknown via CMAUP database
beta-Cuprenene 91748715 Click to see CC1(CCCC1(C)C2CCC(=C)C=C2)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
beta-Farnesene, (6Z)- 5317319 Click to see CC(=CCCC(=CCCC(=C)C=C)C)C 204.35 unknown via CMAUP database
beta-Sesquiphellandrene 519764 Click to see CC(CCC=C(C)C)C1CCC(=C)C=C1 204.35 unknown via CMAUP database
Bulnesol 90785 Click to see CC1CCC2=C(CCC(CC12)C(C)(C)O)C 222.37 unknown via CMAUP database
Caryophyllene 5281515 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown via CMAUP database
Caryophyllene epoxide 14350 Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C 220.35 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
Copaene 19725 Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C 204.35 unknown via CMAUP database
Cubebene 518814 Click to see CC1CCC(C2C13C2C(=C)CC3)C(C)C 204.35 unknown via CMAUP database
Cuparene 86895 Click to see CC1=CC=C(C=C1)C2(CCCC2(C)C)C 202.33 unknown via CMAUP database
Cyclopropa[d]naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, (1aS,4aS,8aS)-(-)- 6432451 Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C 204.35 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-Bisabolene, (Z)- 3033866 Click to see CC1=CCC(=C(C)CCC=C(C)C)CC1 204.35 unknown via CMAUP database
gamma-Elemene 94254 Click to see CC(=C1CCC(C(C1)C(=C)C)(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
Guaiol 227829 Click to see CC1CCC(CC2=C1CCC2C)C(C)(C)O 222.37 unknown via CMAUP database
Guaiol acetate 240122 Click to see CC1CCC(CC2=C1CCC2C)C(C)(C)OC(=O)C 264.40 unknown via CMAUP database
Hinesol 289964 Click to see CC1CCC=C(C12CCC(C2)C(C)(C)O)C 222.37 unknown via CMAUP database
Muurola-4,11-diene 6429206 Click to see CC1CCC2C(CCC(=C2C1)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
Thujopsen 97829 Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C 204.35 unknown via CMAUP database
Thujopsene 442402 Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C 204.35 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
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
(-)-Globulol 12304985 Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 unknown via CMAUP database
(+)-Aromadendrene 11095734 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown via CMAUP database
(+)-Globulol 12304982 Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 unknown via CMAUP database
(1aR,4R,4aR,7R,7aS,7bS)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol 91746597 Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 unknown via CMAUP database
(1aR,7S,7aS,7bR)-1,1,4,7-Tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulen-7-ol 14038848 Click to see CC1=C2CCC(C2C3C(C3(C)C)CC1)(C)O 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
(1aS,4aS,7R,7aS,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol 6432706 Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 unknown via CMAUP database
1,1,7-Trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol 522266 Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 unknown via CMAUP database
1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1aalpha,4beta,4abeta,7alpha,7abeta,7balpha)]- 6432543 Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 unknown via CMAUP database
1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1ar-(1aalpha,4aalpha,7beta,7abeta,7balpha)]- 6432640 Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 unknown via CMAUP database
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
Ent-Spathulenol 13854255 Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 unknown via CMAUP database
Globulol 101716 Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 unknown via CMAUP database
Isospathulenol 102303030 Click to see CC1=C2CCC(C2C3C(C3(C)C)CC1)(C)O 220.35 unknown via CMAUP database
Ledene oxide-(I) 534497 Click to see CC1CCC23C1C4C(C4(C)C)CCC2(O3)C 220.35 unknown via CMAUP database
Palustrol 110745 Click to see CC1CCC2(C1C3C(C3(C)C)CCC2C)O 222.37 unknown via CMAUP database
Spathulenol 92231 Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 unknown via CMAUP database
Viridiflorene 10910653 Click to see CC1CCC2=C(CCC3C(C12)C3(C)C)C 204.35 unknown via CMAUP database
Viridiflorol 11996452 Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Bicyclogermacrane and isolepidozane sesquiterpenoids
(+)-Bicyclogermacrene 11820258 Click to see CC1=CCCC(=CC2C(C2(C)C)CC1)C 204.35 unknown via CMAUP database
(1S,2E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene 44583886 Click to see CC1=CCCC(=CC2C(C2(C)C)CC1)C 204.35 unknown via CMAUP database
(1S,2E,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene 13894537 Click to see CC1=CCCC(=CC2C(C2(C)C)CC1)C 204.35 unknown via CMAUP database
(1S,2Z,6Z,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene 13894533 Click to see CC1=CCCC(=CC2C(C2(C)C)CC1)C 204.35 unknown via CMAUP database
Bicyclogermacrene 5315347 Click to see CC1=CCCC(=CC2C(C2(C)C)CC1)C 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Cedrane and isocedrane sesquiterpenoids
(1R,2R,5S,7R)-2,6,6-Trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane 16213223 Click to see CC1CCC2C13CCC(=C)C(C3)C2(C)C 204.35 unknown via CMAUP database
(1R,2R,5S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane 91750491 Click to see CC1CCC2C13CCC(=C)C(C3)C2(C)C 204.35 unknown via CMAUP database
1,7-di-epi-beta-Cedrene 6431123 Click to see CC1CCC2C13CCC(=C)C(C3)C2(C)C 204.35 unknown via CMAUP database
1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3R,3aS,7S,8aS)- 12302594 Click to see CC1CCC2C13CC=C(C(C3)C2(C)C)C 204.35 unknown via CMAUP database
alpha-Cedrene 6431015 Click to see CC1CCC2C13CC=C(C(C3)C2(C)C)C 204.35 unknown via CMAUP database
beta-Cedrene 11106485 Click to see CC1CCC2C13CCC(=C)C(C3)C2(C)C 204.35 unknown via CMAUP database
Cedrene 521207 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 / Chamigranes
beta-Chamigrene 29073 Click to see CC1=CCC2(CC1)C(=C)CCCC2(C)C 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)- 9859094 Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C 204.35 unknown via CMAUP database
Elemol 92138 Click to see CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O 222.37 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
2-(4a-Methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)propan-2-ol 521215 Click to see CC12CCCC(=C)C1CC(CC2)C(C)(C)O 222.37 unknown via CMAUP database
2-Naphthalenemethanol, 1,2,3,4,4a,5,6,8a-octahydro-alpha,alpha,4a,8-tetramethyl-, [2R-(2alpha,4aalpha,8abeta)]- 5317269 Click to see CC1=CCCC2(C1CC(CC2)C(C)(C)O)C 222.37 unknown via CMAUP database
2-Naphthalenemethanol, 2,3,4,4a,5,6,7,8-octahydro-alpha,alpha,4a,8-tetramethyl-, (2R,4aS,8R)- 10727766 Click to see CC1CCCC2(C1=CC(CC2)C(C)(C)O)C 222.37 unknown via CMAUP database
2-Naphthalenemethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-, [2R-(2alpha,4aalpha,8abeta)]- 6432456 Click to see CC12CCCC(=C)C1CC(CC2)C(C)(C)O 222.37 unknown via CMAUP database
beta-EUDESMOL 91457 Click to see CC12CCCC(=C)C1CC(CC2)C(C)(C)O 222.37 unknown via CMAUP database
gamma-EUDESMOL 6432005 Click to see CC1=C2CC(CCC2(CCC1)C)C(C)(C)O 222.37 unknown via CMAUP database
Rosifoliol 527256 Click to see CC1CCCC2(C1=CC(CC2)C(C)(C)O)C 222.37 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Himachalane and lippifoliane sesquiterpenoids
beta-Himachalene 11586487 Click to see CC1=CC2C(=C(CCCC2(C)C)C)CC1 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(1R,2R,5S,6R,9R,10S,11S,14R,15R,19S,21R,22R)-10-(hydroxymethyl)-2,5,6,10,14,21-hexamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-ene-11,22-diol 44253988 Click to see CC12CCC(C(C1CCC3(C2CC=C4C3(CCC5(C4CC6(CC5OC6O)C)C)C)C)(C)CO)O 472.70 unknown via CMAUP database
(1R,2R,5S,6R,9R,10S,11S,14R,15R,19S,21R,22R)-10-(hydroxymethyl)-22-methoxy-2,5,6,10,14,21-hexamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-11-ol 44253989 Click to see CC12CCC(C(C1CCC3(C2CC=C4C3(CCC5(C4CC6(CC5OC6OC)C)C)C)C)(C)CO)O 486.70 unknown via CMAUP database
(2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid 21594159 Click to see CC12CCC(CC1C3=CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)O)C)(C)C(=O)O 472.70 unknown via CMAUP database
(3S,4S,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bR)-4,11-bis(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol 14335966 Click to see CC12CCC(C(C1CCC3(C2CC=C4C3(CCC5(C4CC(CC5O)(C)CO)C)C)C)(C)CO)O 474.70 unknown via CMAUP database
24-Hydroxy-beta-amyrin 14167253 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C)C 442.70 unknown via CMAUP database
3-Oxoazukisapogenol 44253990 Click to see CC12CCC(CC1C3=CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)CO)C)(C)C(=O)O 470.70 unknown via CMAUP database
3beta,22beta,24-Trihydroxyoleana-12-ene-30-oic acid gamma-lactone 102482971 Click to see CC12CCC(C(C1CCC3(C2CC=C4C3(CCC5(C4CC6(CC5OC6=O)C)C)C)C)(C)CO)O 470.70 unknown via CMAUP database
Melilotigenin B 91895471 Click to see CC1(CC2C3=CCC4C5(CCC(=O)C(C5CCC4(C3(CCC2(C(=O)C1)C)C)C)(C)CO)C)C 454.70 unknown via CMAUP database
Melilotigenin C 10551785 Click to see CC1(CC2C3=CCC4C5(CCC(=O)C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)C)C 456.70 unknown via CMAUP database
Soyasapogenol B 115012 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)O)C)C 458.70 unknown via CMAUP database
Soyasapogenol E 13632872 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(=O)C1)C)C)C)(C)CO)O)C)C 456.70 unknown via CMAUP database
Squalene 638072 Click to see CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C 410.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
Clionasterol 457801 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 414.70 unknown via CMAUP database
Stigmasterol 5280794 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 412.70 unknown via CMAUP database
> Nucleosides, nucleotides, and analogues / Purine nucleosides
Adenosine 60961 Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N 267.24 unknown https://doi.org/10.1248/CPB.39.2046
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives
Acetic acid, (Z)- 9904352 Click to see CCN1C(=CC(=O)OCC)SC(C1=O)N2CCCCC2 298.40 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alanine and derivatives
(2S)-2-azaniumylpropanoate 7311724 Click to see CC(C(=O)[O-])[NH3+] 89.09 unknown via CMAUP database
2-Ammoniopropanoate 57383916 Click to see CC(C(=O)[O-])[NH3+] 89.09 unknown via CMAUP database
D-alanine 71080 Click to see CC(C(=O)O)N 89.09 unknown via CMAUP database
DL-Alanine-15N 51283 Click to see CC(C(=O)O)N 90.09 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids
2-Azaniumylacetate 5257127 Click to see C(C(=O)[O-])[NH3+] 75.07 unknown via CMAUP database
Piperidine-2-carboxylate 25200477 Click to see C1CC[NH2+]C(C1)C(=O)[O-] 129.16 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / D-alpha-amino acids
(2R,3S)-2-amino-3-hydroxybutanoate 6995277 Click to see CC(C(C(=O)[O-])[NH3+])O 119.12 unknown via CMAUP database
(2R)-piperidin-1-ium-2-carboxylate 6931662 Click to see C1CC[NH2+]C(C1)C(=O)[O-] 129.16 unknown via CMAUP database
D-ornithine 71082 Click to see C(CC(C(=O)O)N)CN 132.16 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / L-alpha-amino acids
(2S,3R)-2-azaniumyl-3-hydroxybutanoate 6971019 Click to see CC(C(C(=O)[O-])[NH3+])O 119.12 unknown via CMAUP database
(2S)-2,5-diaminopentanoate;hydron 88747248 Click to see [H+].C(CC(C(=O)[O-])N)CN 132.16 unknown via CMAUP database
L-ornithinium(1+) 59565831 Click to see C(CC(C(=O)O)N)C[NH3+] 133.17 unknown via CMAUP database
L-ornithinium(2+) 449468 Click to see C(CC(C(=O)O)[NH3+])C[NH3+] 134.18 unknown via CMAUP database
L-pipecolate 6931663 Click to see C1CC[NH2+]C(C1)C(=O)[O-] 129.16 unknown via CMAUP database
L-threoninate 5460797 Click to see CC(C(C(=O)[O-])N)O 118.11 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Asparagine and derivatives
(2S)-4-amino-2-ammonio-4-oxobutanoate 6992089 Click to see C(C(C(=O)[O-])[NH3+])C(=O)N 132.12 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-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid 6006 Click to see C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O 473.40 unknown via CMAUP database
(2S)-2-[[4-[[(6R)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid 135548 Click to see C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O 473.40 unknown via CMAUP database
CID 6037 6037 Click to see C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N 441.40 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Proline and derivatives
(2S)-pyrrolidin-1-ium-2-carboxylate 6971047 Click to see C1CC([NH2+]C1)C(=O)[O-] 115.13 unknown via CMAUP database
D-proline 8988 Click to see C1CC(NC1)C(=O)O 115.13 unknown via CMAUP database
DL-Proline 614 Click to see C1CC(NC1)C(=O)O 115.13 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Serine and derivatives
(2R)-2-ammonio-3-hydroxypropanoate 6857549 Click to see C(C(C(=O)[O-])[NH3+])O 105.09 unknown via CMAUP database
Serine 5951 Click to see C(C(C(=O)O)N)O 105.09 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Valine and derivatives
(2S)-2-amino-3-methylbutanoate;hydron 88733505 Click to see [H+].CC(C)C(C(=O)[O-])N 117.15 unknown via CMAUP database
D-Valine 71563 Click to see CC(C)C(C(=O)O)N 117.15 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 acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
Butyl acetate 31272 Click to see CCCCOC(=O)C 116.16 unknown via CMAUP database
Ethyl Acetate 8857 Click to see CCOC(=O)C 88.11 unknown via CMAUP database
Ethyl acetate-1-13C 12206859 Click to see CCOC(=O)C 89.10 unknown via CMAUP database
Hexyl acetate 8908 Click to see CCCCCCOC(=O)C 144.21 unknown via CMAUP database
Isobutyl isobutyrate 7351 Click to see CC(C)COC(=O)C(C)C 144.21 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acids
Hydron;acetate 21980959 Click to see [H+].CC(=O)[O-] 60.05 unknown via CMAUP database
Propionic Acid 1032 Click to see CCC(=O)O 74.08 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
(E)-but-2-enedioate;hydron 21883788 Click to see [H+].[H+].C(=CC(=O)[O-])C(=O)[O-] 116.07 unknown via CMAUP database
Butanedioate;hydron 21952380 Click to see [H+].[H+].C(CC(=O)[O-])C(=O)[O-] 118.09 unknown via CMAUP database
Hydron;propanedioate 23511544 Click to see [H+].[H+].C(C(=O)[O-])C(=O)[O-] 104.06 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
2-(Carboxymethyl)-2-hydroxybutanedioate;hydron 88113319 Click to see [H+].[H+].C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O 192.12 unknown via CMAUP database
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
(2S)-2-Hydroxybutanedioic acid 222656 Click to see C(C(C(=O)O)O)C(=O)O 134.09 unknown via CMAUP database
D-malate 92824 Click to see C(C(C(=O)O)O)C(=O)O 134.09 unknown via CMAUP database
Hydron;2-hydroxybutanedioate 20130941 Click to see [H+].[H+].C(C(C(=O)[O-])O)C(=O)[O-] 134.09 unknown via CMAUP database
> Organic acids and derivatives / Keto acids and derivatives / Beta-keto acids and derivatives
Butanoic acid, 2-(diethoxyphosphinyl)-3-oxo-, ethyl ester 3032451 Click to see CCOC(=O)C(C(=O)C)P(=O)(OCC)OCC 266.23 unknown via CMAUP database
> Organic nitrogen compounds / Organonitrogen compounds / Quaternary ammonium salts / Cholines
Choline 305 Click to see C[N+](C)(C)CCO 104.17 unknown https://doi.org/10.1055/S-2006-962345
> Organic oxygen compounds / Organic oxides
Safranal 61041 Click to see CC1=C(C(CC=C1)(C)C)C=O 150.22 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
(-)-Quinate 1560034 Click to see C1C(C(C(CC1(C(=O)[O-])O)O)O)O 191.16 unknown via CMAUP database
(+)-Quinic acid 37439 Click to see C1C(C(C(CC1(C(=O)O)O)O)O)O 192.17 unknown via CMAUP database
Chlorogenic Acid 1794427 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 unknown via CMAUP database
cis-Chlorogenic acid 1794425 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 unknown via CMAUP database
Quinic acid 6508 Click to see C1C(C(C(CC1(C(=O)O)O)O)O)O 192.17 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols
1-Butanol 263 Click to see CCCCO 74.12 unknown via CMAUP database
1-Pentanol 6276 Click to see CCCCCO 88.15 unknown via CMAUP database
3-Methyl-2-buten-1-OL 11173 Click to see CC(=CCO)C 86.13 unknown via CMAUP database
4-Methyl-1-pentanol 12296 Click to see CC(C)CCCO 102.17 unknown via CMAUP database
Ethanol 702 Click to see CCO 46.07 unknown via CMAUP database
Isobutanol 6560 Click to see CC(C)CO 74.12 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
(3R)-1-hexen-3-ol 6992421 Click to see CCCC(C=C)O 100.16 unknown via CMAUP database
1-Hexen-3-OL 20928 Click to see CCCC(C=C)O 100.16 unknown via CMAUP database
2-Hydroxycyclopentadecanone 543400 Click to see C1CCCCCCC(C(=O)CCCCCC1)O 240.38 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols / Cyclohexanols
Inositol 892 Click to see C1(C(C(C(C(C1O)O)O)O)O)O 180.16 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
2-Methyl-3-buten-2-OL 8257 Click to see CC(C)(C=C)O 86.13 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides
D-Fructose 2723872 Click to see C1C(C(C(C(O1)(CO)O)O)O)O 180.16 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
D-Glucose 5793 Click to see C(C1C(C(C(C(O1)O)O)O)O)O 180.16 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives / Glucuronic acid derivatives
(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid 84740 Click to see C(=O)C(C(C(C(C(=O)O)O)O)O)O 194.14 unknown via CMAUP database
D-Galacturonic Acid 439215 Click to see C1(C(C(OC(C1O)O)C(=O)O)O)O 194.14 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes
Butyraldehyde 261 Click to see CCCC=O 72.11 unknown via CMAUP database
Isovaleraldehyde 11552 Click to see CC(C)CC=O 86.13 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes
5-Methylfurfural 12097 Click to see CC1=CC=C(O1)C=O 110.11 unknown via CMAUP database
Furfural 7362 Click to see C1=COC(=C1)C=O 96.08 unknown via CMAUP database
Pyrrole-2-carboxaldehyde 13854 Click to see C1=CNC(=C1)C=O 95.10 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
(E,Z)-2,4-Decadienal 6427087 Click to see CCCCCC=CC=CC=O 152.23 unknown via CMAUP database
(Z)-2-Decenal 5354834 Click to see CCCCCCCC=CC=O 154.25 unknown via CMAUP database
(Z)-2-hexenal 6428782 Click to see CCCC=CC=O 98.14 unknown via CMAUP database
(Z)-Non-2-enal 5354833 Click to see CCCCCCC=CC=O 140.22 unknown via CMAUP database
2-Decenal 5283345 Click to see CCCCCCCC=CC=O 154.25 unknown via CMAUP database
2-Hexenal 5281168 Click to see CCCC=CC=O 98.14 unknown via CMAUP database
2-Nonenal 5283335 Click to see CCCCCCC=CC=O 140.22 unknown via CMAUP database
2-Octenal 5283324 Click to see CCCCCC=CC=O 126.20 unknown via CMAUP database
2-Octenal, (2Z)- 6427080 Click to see CCCCCC=CC=O 126.20 unknown via CMAUP database
2,4-Decadienal 5283349 Click to see CCCCCC=CC=CC=O 152.23 unknown via CMAUP database
Deca-2,4-dienal 16899 Click to see CCCCCC=CC=CC=O 152.23 unknown via CMAUP database
Decanal 8175 Click to see CCCCCCCCCC=O 156.26 unknown via CMAUP database
Dodecanal 8194 Click to see CCCCCCCCCCCC=O 184.32 unknown via CMAUP database
Heptanal 8130 Click to see CCCCCCC=O 114.19 unknown via CMAUP database
Hexanal 6184 Click to see CCCCCC=O 100.16 unknown via CMAUP database
Octanal 454 Click to see CCCCCCCC=O 128.21 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Short-chain aldehydes
(S)-2-methylbutanal 6971249 Click to see CCC(C)C=O 86.13 unknown via CMAUP database
2-Methylbutyraldehyde 7284 Click to see CCC(C)C=O 86.13 unknown via CMAUP database
Isobutyraldehyde 6561 Click to see CC(C)C=O 72.11 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated aldehydes / Enals
Tiglic aldehyde 5321950 Click to see CC=C(C)C=O 84.12 unknown via CMAUP database
trans-Tiglaldehyde 6028462 Click to see CC=C(C)C=O 84.12 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones
1-Penten-3-one, 4-methyl- 74152 Click to see CC(C)C(=O)C=C 98.14 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha-acyloxy carbonyl compounds / Alpha-acyloxy ketones
Acetoxyacetone 11593 Click to see CC(=O)COC(=O)C 116.11 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aryl ketones / Aryl alkyl ketones
2-Acetylpyrrole 14079 Click to see CC(=O)C1=CC=CN1 109.13 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
2-Cyclopenten-1-one 13588 Click to see C1CC(=O)C=C1 82.10 unknown via CMAUP database
2-Methyl-2-cyclopenten-1-one 14266 Click to see CC1=CCCC1=O 96.13 unknown via CMAUP database
Cyclopentadecanone 10409 Click to see C1CCCCCCCC(=O)CCCCCC1 224.38 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
Isophorone 6544 Click to see CC1=CC(=O)CC(C1)(C)C 138.21 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
2-Heptanone 8051 Click to see CCCCCC(=O)C 114.19 unknown via CMAUP database
2-Nonanone 13187 Click to see CCCCCCCC(=O)C 142.24 unknown via CMAUP database
2-Undecanone 8163 Click to see CCCCCCCCCC(=O)C 170.29 unknown via CMAUP database
4-Octanone 11516 Click to see CCCCC(=O)CCC 128.21 unknown via CMAUP database
6-Methyl-5-hepten-2-one 9862 Click to see CC(=CCCC(=O)C)C 126.20 unknown via CMAUP database
6-Undecanone 13561 Click to see CCCCCC(=O)CCCCC 170.29 unknown via CMAUP database
Solanone 6451337 Click to see CC(C)C(CCC(=O)C)C=CC(=C)C 194.31 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones / Beta-hydroxy ketones
Diacetone Alcohol 31256 Click to see CC(=O)CC(C)(C)O 116.16 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
1-(2-Hydroxyphenyl)pentan-1-one 241635 Click to see CCCCC(=O)C1=CC=CC=C1O 178.23 unknown via CMAUP database
3',4'-Dimethylacetophenone 77193 Click to see CC1=C(C=C(C=C1)C(=O)C)C 148.20 unknown via CMAUP database
Butyrophenone 10315 Click to see CCCC(=O)C1=CC=CC=C1 148.20 unknown via CMAUP database
Valerophenone 66093 Click to see CCCCC(=O)C1=CC=CC=C1 162.23 unknown via CMAUP database
> Organoheterocyclic compounds / Benzodioxoles
Isosafrole 637796 Click to see CC=CC1=CC2=C(C=C1)OCO2 162.18 unknown via CMAUP database
Safrole 5144 Click to see C=CCC1=CC2=C(C=C1)OCO2 162.18 unknown via CMAUP database
> Organoheterocyclic compounds / Benzofurans / Benzofuranones
(2'Z,8'R)-2'-butylidene-8'-propylspiro[2-benzofuran-3,9'-3-oxatricyclo[5.2.2.01,5]undec-5-ene]-1,4'-dione 59146369 Click to see CCCC=C1C23CCC(C=C2C(=O)O1)C(C34C5=CC=CC=C5C(=O)O4)CCC 378.50 unknown via CMAUP database
(3S)-Butylphthalide 11116832 Click to see CCCCC1C2=CC=CC=C2C(=O)O1 190.24 unknown via CMAUP database
Ansaspirolide 44575265 Click to see CCCC=C1C23CCC(C=C2C(=O)O1)C(C34C5=CC=CC=C5C(=O)O4)CCC 378.50 unknown via CMAUP database
Butylphthalide 61361 Click to see CCCCC1C2=CC=CC=C2C(=O)O1 190.24 unknown https://doi.org/10.1055/S-2006-962742
> Organoheterocyclic compounds / Benzofurans / Benzofuranones / Phthalic anhydrides
Phthalic anhydride 6811 Click to see C1=CC=C2C(=C1)C(=O)OC2=O 148.11 unknown via CMAUP database
> Organoheterocyclic compounds / Benzofurans / Dibenzofurans
Dibenzofuran 568 Click to see C1=CC=C2C(=C1)C3=CC=CC=C3O2 168.19 unknown via CMAUP database
> Organoheterocyclic compounds / Benzopyrans
Oxytropisoflavan B 46918734 Click to see COC1=C(C(=C(C=C1)C2CC3(CCC(=O)C=C3OC2)O)O)OC 320.30 unknown via CMAUP database
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
(1R,2R,6Z,10S,11S,16Z)-6,16-di(butylidene)-5,17-dioxapentacyclo[9.4.3.01,11.02,10.03,7]octadeca-3(7),12-diene-4,18-dione 163073901 Click to see CCCC=C1C2=C(C3C(CC2)C45C3(CCC=C4)C(=CCCC)OC5=O)C(=O)O1 380.50 unknown https://doi.org/10.1248/CPB.35.4460
6,16-Di(butylidene)-5,17-dioxapentacyclo[9.4.3.01,11.02,10.03,7]octadeca-3(7),12-diene-4,18-dione 163073899 Click to see CCCC=C1C2=C(C3C(CC2)C45C3(CCC=C4)C(=CCCC)OC5=O)C(=O)O1 380.50 unknown https://doi.org/10.1248/CPB.35.4460
Levistolide A 70698035 Click to see CCCC=C1C2=C(C3C(CC2)C4CCC35C(=C4)C(=O)OC5=CCCC)C(=O)O1 380.50 unknown https://doi.org/10.1248/CPB.35.4460
Z-6,7-Epoxyligustilide 5317139 Click to see CCCC=C1C2=C(C3C(O3)CC2)C(=O)O1 206.24 unknown via CMAUP database
> Organoheterocyclic compounds / Epoxides
1,2-Epoxyhexadecane 23741 Click to see CCCCCCCCCCCCCCC1CO1 240.42 unknown via CMAUP database
> Organoheterocyclic compounds / Heteroaromatic compounds
2-Methylfuran 10797 Click to see CC1=CC=CO1 82.10 unknown via CMAUP database
2-Pentylfuran 19602 Click to see CCCCCC1=CC=CO1 138.21 unknown via CMAUP database
Furan, 3-methyl-2-(3-methyl-2-butenyl)- 84825 Click to see CC1=C(OC=C1)CC=C(C)C 150.22 unknown via CMAUP database
Furfuryl acetate 12170 Click to see CC(=O)OCC1=CC=CO1 140.14 unknown via CMAUP database
Furfuryl alcohol 7361 Click to see C1=COC(=C1)CO 98.10 unknown via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Benzoylindoles
Oxytrofalcatin A 46850030 Click to see C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)O 237.25 unknown via CMAUP database
Oxytrofalcatin B 46850031 Click to see C1=CC=C2C(=C1)C(=CN2C(=O)C3=CC=C(C=C3)O)O 253.25 unknown via CMAUP database
Oxytrofalcatin C 46850032 Click to see COC1=CN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)O 267.28 unknown via CMAUP database
Oxytrofalcatin D 46850205 Click to see COC1=CN(C2=C1C(=CC=C2)O)C(=O)C3=CC=C(C=C3)O 283.28 unknown via CMAUP database
Oxytrofalcatin E 46850206 Click to see CC(=CCC1=C(C=CC(=C1)C(=O)N2C=C(C3=CC=CC=C32)O)O)C 321.40 unknown via CMAUP database
Oxytrofalcatin F 46850207 Click to see C1=CC=C2C(=C1)C(=CN2C(=O)C3=CC(=CC=C3)O)O 253.25 unknown via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Carbazoles
Methyl 7-methoxy-9H-carbazole-3-carboxylate 11817681 Click to see COC1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)C(=O)OC 255.27 unknown https://doi.org/10.1248/CPB.35.4460
> Organoheterocyclic compounds / Indoles and derivatives / Indoles
Indole 798 Click to see C1=CC=C2C(=C1)C=CN2 117.15 unknown via CMAUP database
> Organoheterocyclic compounds / Isobenzofurans
(1R,2Z,7S,8R,9S)-2-butylidene-8-propylspiro[3-oxatricyclo[5.2.2.01,5]undec-5-ene-9,3'-4,5-dihydro-2-benzofuran]-1',4-dione 132519574 Click to see CCCC=C1C23CCC(C=C2C(=O)O1)C(C34C5=C(C=CCC5)C(=O)O4)CCC 380.50 unknown https://doi.org/10.1248/CPB.35.4460
(3Z)-3-[(2R)-2-hydroxybutylidene]-4,5-dihydro-2-benzofuran-1-one 38361781 Click to see CCC(C=C1C2=C(C=CCC2)C(=O)O1)O 206.24 unknown https://doi.org/10.1248/CPB.35.4460
(6R,7R)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one 131954670 Click to see CCCC=C1C2=C(C(C(CC2)O)O)C(=O)O1 224.25 unknown https://doi.org/10.1248/CPB.35.4460
(6R,7S)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one 131874235 Click to see CCCC=C1C2=C(C(C(CC2)O)O)C(=O)O1 224.25 unknown https://doi.org/10.1248/CPB.35.4460
(E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one 5877292 Click to see CCCC=C1C2=C(C=CCC2)C(=O)O1 190.24 unknown via CMAUP database
[(1Z,2R)-1-(3-oxo-6,7-dihydro-2-benzofuran-1-ylidene)butan-2-yl] (Z)-2-methylbut-2-enoate 162959141 Click to see CCC(C=C1C2=C(C=CCC2)C(=O)O1)OC(=O)C(=CC)C 288.34 unknown https://doi.org/10.1248/CPB.35.4460
1-(3-Oxo-6,7-dihydro-2-benzofuran-1-ylidene)butan-2-yl 2-methylbut-2-enoate 72766262 Click to see CCC(C=C1C2=C(C=CCC2)C(=O)O1)OC(=O)C(=CC)C 288.34 unknown https://doi.org/10.1248/CPB.35.4460
1,4-Cyclohexadiene-1,2-dicarboxylic anhydride 138348 Click to see C1C=CCC2=C1C(=O)OC2=O 150.13 unknown via CMAUP database
3-(2-Hydroxybutylidene)-4,5-dihydro-2-benzofuran-1-one 72765541 Click to see CCC(C=C1C2=C(C=CCC2)C(=O)O1)O 206.24 unknown https://doi.org/10.1248/CPB.35.4460
3-N-Butyl-4,5-dihydrophthalide 173843 Click to see CCCCC1C2=C(C=CCC2)C(=O)O1 192.25 unknown via CMAUP database
Butylidene dihydrophthalide 91752777 Click to see CCCC=C1C2CC=CC=C2C(=O)O1 190.24 unknown via CMAUP database
cis-Ligustilide 529865 Click to see CCCC=C1C2=C(C=CCC2)C(=O)O1 190.24 unknown https://doi.org/10.1021/JF0497049
Ligustilide 5319022 Click to see CCCC=C1C2=C(C=CCC2)C(=O)O1 190.24 unknown https://doi.org/10.1016/S0024-3205(98)00182-9
https://doi.org/10.1055/S-2006-962742
https://doi.org/10.1248/CPB.39.2046
https://doi.org/10.1055/S-2006-962345
https://doi.org/10.1021/JF0497049
Riligustilide 6442656 Click to see CCCC=C1C2=C(C3C(CC2)C(C34C5=C(C=CCC5)C(=O)O4)CCC)C(=O)O1 380.50 unknown via CMAUP database
Senkyunolide A 3085257 Click to see CCCCC1C2=C(C=CCC2)C(=O)O1 192.25 unknown via CMAUP database
Senkyunolide D 11264524 Click to see CCCC(=O)C1(C2=C(C=CCC2)C(=O)O1)O 222.24 unknown via CMAUP database
Senkyunolide F 11241196 Click to see CCC(C=C1C2=C(C=CCC2)C(=O)O1)O 206.24 unknown https://doi.org/10.1248/CPB.35.4460
Senkyunolide H 5321251 Click to see CCCC=C1C2=C(C(C(CC2)O)O)C(=O)O1 224.25 unknown https://doi.org/10.1248/CPB.35.4460
Senkyunolide I 11521428 Click to see CCCC=C1C2=C(C(C(CC2)O)O)C(=O)O1 224.25 unknown via CMAUP database
Tokinolide B 11090206 Click to see CCCC=C1C23CCC(C=C2C(=O)O1)C(C34C5=C(C=CCC5)C(=O)O4)CCC 380.50 unknown https://doi.org/10.1248/CPB.35.4460
> Organoheterocyclic compounds / Isocoumarans / Isobenzofuranones
(3Z)-3-[(2R)-2-hydroxybutylidene]-2-benzofuran-1-one 124404443 Click to see CCC(C=C1C2=CC=CC=C2C(=O)O1)O 204.22 unknown https://doi.org/10.1248/CPB.35.4460
(Z)-3-butylidene-7-hydroxyphthalide 5281559 Click to see CCCC=C1C2=C(C(=CC=C2)O)C(=O)O1 204.22 unknown via CMAUP database
3-Butylidenephthalide 642376 Click to see CCCC=C1C2=CC=CC=C2C(=O)O1 188.22 unknown https://doi.org/10.1021/JF0497049
Butylidene phthalide 62368 Click to see CCCC=C1C2=CC=CC=C2C(=O)O1 188.22 unknown https://doi.org/10.1021/JF0497049
https://doi.org/10.1248/CPB.39.2046
Butylidenephthalide 5352899 Click to see CCCC=C1C2=CC=CC=C2C(=O)O1 188.22 unknown https://doi.org/10.1248/CPB.39.2046
https://doi.org/10.1055/S-2006-962742
Senkyunolide E 11830530 Click to see CCC(C=C1C2=CC=CC=C2C(=O)O1)O 204.22 unknown https://doi.org/10.1248/CPB.35.4460
> Organoheterocyclic compounds / Isocoumarans / Isobenzofuranones / Phthalides
Phthalide 6885 Click to see C1C2=CC=CC=C2C(=O)O1 134.13 unknown via CMAUP database
> Organoheterocyclic compounds / Isoindoles and derivatives / Isoindolines / Isoindolones / Phthalimides
N-Methylphthalimide 11074 Click to see CN1C(=O)C2=CC=CC=C2C1=O 161.16 unknown via CMAUP database
> Organoheterocyclic compounds / Lactones / Beta propiolactones
(-)-beta-Butyrolactone 6998969 Click to see CC1CC(=O)O1 86.09 unknown via CMAUP database
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
(5S)-5-hexyloxolan-2-one 7057904 Click to see CCCCCCC1CCC(=O)O1 170.25 unknown via CMAUP database
(R)-(+)-gamma-Nonalactone 11094875 Click to see CCCCCC1CCC(=O)O1 156.22 unknown via CMAUP database
(R)-gamma-Decalactone 183870 Click to see CCCCCCC1CCC(=O)O1 170.25 unknown via CMAUP database
cis-4-Hydroxy-3-methylundecanoic acid lactone 91701100 Click to see CCCCCCCC1C(CC(=O)O1)C 198.30 unknown via CMAUP database
gamma-Butyrolactone 7302 Click to see C1CC(=O)OC1 86.09 unknown via CMAUP database
gamma-Decalactone 12813 Click to see CCCCCCC1CCC(=O)O1 170.25 unknown via CMAUP database
Gamma-nonalactone 7710 Click to see CCCCCC1CCC(=O)O1 156.22 unknown via CMAUP database
> Organoheterocyclic compounds / Oxepanes
(+)-cis-Limonene 1,2-epoxide 6432653 Click to see CC(=C)C1CCC2(C(C1)O2)C 152.23 unknown via CMAUP database
Limonene oxide 91496 Click to see CC(=C)C1CCC2(C(C1)O2)C 152.23 unknown via CMAUP database
Limonene oxide, (-)- 10953718 Click to see CC(=C)C1CCC2(C(C1)O2)C 152.23 unknown via CMAUP database
Limonene oxide, trans-(-)- 8029780 Click to see CC(=C)C1CCC2(C(C1)O2)C 152.23 unknown via CMAUP database
Limonene-1,2-epoxide 441245 Click to see CC(=C)C1CCC2(C(C1)O2)C 152.23 unknown via CMAUP database
> Organoheterocyclic compounds / Pteridines and derivatives / Pterins and derivatives / Folic acids and derivatives / Folic acids
2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid 3405 Click to see C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N 441.40 unknown via CMAUP database
> Organoheterocyclic compounds / Pteridines and derivatives / Pterins and derivatives / Tetrahydrofolic acids and derivatives / Tetrahydrofolic acids
(2R)-2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid 54575 Click to see C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O 473.40 unknown via CMAUP database
(2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid 149436 Click to see C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O 473.40 unknown via CMAUP database
2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid 143 Click to see C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O 473.40 unknown via CMAUP database
> Organoheterocyclic compounds / Pyrans
1,3,3-Trimethyl-2-oxabicyclo[2.2.2]oct-5-ene 523035 Click to see CC1(C2CCC(O1)(C=C2)C)C 152.23 unknown via CMAUP database
> Organoheterocyclic compounds / Pyrans / Pyranones and derivatives
Maltol 8369 Click to see CC1=C(C(=O)C=CO1)O 126.11 unknown via CMAUP database
> Organoheterocyclic compounds / Pyridines and derivatives / Hydropyridines / Dihydropyridines
4-Hydroxypyridine 12290 Click to see C1=CNC=CC1=O 95.10 unknown via CMAUP database
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridinecarboxylic acids and derivatives / Pyridinecarboxylic acids
Nicotinic acid 938 Click to see C1=CC(=CN=C1)C(=O)O 123.11 unknown https://doi.org/10.1055/S-2006-962742
> Organosulfur compounds / Isothiocyanates
(2R)-2-isothiocyanatobutane 5399110 Click to see CCC(C)N=C=S 115.20 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
[2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-methoxypropyl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 102184431 Click to see COC1=C(C=CC(=C1)C=CC(=O)OCC(C(C2=CC(=C(C=C2)O)OC)OC)O)O 404.40 unknown via CMAUP database
Angeliferulate 11654315 Click to see COC1=C(C=CC(=C1)C=CC(=O)OCC(C(C2=CC(=C(C=C2)O)OC)OC)O)O 404.40 unknown via CMAUP database
Coniferyl ferulate 6441913 Click to see COC1=C(C=CC(=C1)C=CCOC(=O)C=CC2=CC(=C(C=C2)O)OC)O 356.40 unknown via CMAUP database
p-Hydroxyphenethyl trans-ferulate 637308 Click to see COC1=C(C=CC(=C1)C=CC(=O)OCCC2=CC=C(C=C2)O)O 314.30 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
Caffeic Acid 689043 Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O 180.16 unknown via CMAUP database
cis-Caffeic acid 1549111 Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O 180.16 unknown via CMAUP database
Ferulic acid 445858 Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O 194.18 unknown via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives
6-Methoxycoumarin 11240776 Click to see COC1=CC2=C(C=C1)OC(=O)C=C2 176.17 unknown via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Angular furanocoumarins
(-)-Columbianetin 442104 Click to see CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O 246.26 unknown via CMAUP database
8,9-dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]1-benzopyran-2-one 150888 Click to see CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O 246.26 unknown via CMAUP database
Angelicin 10658 Click to see C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3 186.16 unknown via CMAUP database
Columbianetin 92201 Click to see CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O 246.26 unknown via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens
2-Isopropenyl-2,3-dihydrofuro[3,2-g]chromen-7-one 611672 Click to see CC(=C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3 228.24 unknown via CMAUP database
2-isopropyl-7H-furo[3,2-g]chromen-7-one 677576 Click to see CC(C)C1=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3 228.24 unknown via CMAUP database
Isoimperatorin 68081 Click to see CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C 270.28 unknown via CMAUP database
Marmesin 334704 Click to see CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O 246.26 unknown via CMAUP database
Nodakenetin 26305 Click to see CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O 246.26 unknown via CMAUP database
Nodakenin 73191 Click to see CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O 408.40 unknown via CMAUP database
Psoralen 6199 Click to see C1=CC(=O)OC2=CC3=C(C=CO3)C=C21 186.16 unknown via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 5-methoxypsoralens
Bergapten 2355 Click to see COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 216.19 unknown via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 8-methoxypsoralens
Isopimpinellin 68079 Click to see COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC 246.21 unknown https://doi.org/10.1021/JF0497049
Methoxsalen 4114 Click to see COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2 216.19 unknown https://doi.org/10.1021/JF0497049
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 6,7-dihydroxycoumarins
Esculetin 5281416 Click to see C1=CC(=O)OC2=CC(=C(C=C21)O)O 178.14 unknown via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
Demethylsuberosin 5316525 Click to see CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)O)C 230.26 unknown via CMAUP database
Peucedanone 5324562 Click to see CC(C)(C(=O)CC1=C(C=C2C(=C1)C=CC(=O)O2)O)O 262.26 unknown via CMAUP database
Umbelliferone 5281426 Click to see C1=CC(=CC2=C1C=CC(=O)O2)O 162.14 unknown via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Pyranocoumarins / Angular pyranocoumarins
2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 9,10-dihydro-9-hydroxy-8,8-dimethyl-, (R)- 759302 Click to see CC1(C(CC2=C(O1)C=CC3=C2OC(=O)C=C3)O)C 246.26 unknown via CMAUP database
Seselin 68229 Click to see CC1(C=CC2=C(O1)C=CC3=C2OC(=O)C=C3)C 228.24 unknown via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Pyranocoumarins / Linear pyranocoumarins
Decursin 442126 Click to see CC(=CC(=O)OC1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C)C 328.40 unknown via CMAUP database
Decursinol 442127 Click to see CC1(C(CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C 246.26 unknown via CMAUP database
Decursinol angelate 776123 Click to see CC=C(C)C(=O)OC1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C 328.40 unknown via CMAUP database
Decursinol, (-)- 1150962 Click to see CC1(C(CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C 246.26 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
(2S)-7-hydroxyflavanone 688857 Click to see C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=CC=C3 240.25 unknown via CMAUP database
Liquiritigenin 114829 Click to see C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O 256.25 unknown via CMAUP database
Pinocembrin 68071 Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3 256.25 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones
Apigenin 5280443 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O 270.24 unknown via CMAUP database
Chrysin 5281607 Click to see C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O 254.24 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 via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Isorhamnetin 5281654 Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O 316.26 unknown via CMAUP database
Kaempferol 5280863 Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O 286.24 unknown via CMAUP database
Myricetin 5281672 Click to see C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O 318.23 unknown via CMAUP database
Quercetin 5280343 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O 302.23 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
3-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 10919701 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)OC6C(C(C(C(O6)C)O)O)O)O)O)O)O)O 740.70 unknown via CMAUP database
3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one 60200223 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)OC)C5=CC=C(C=C5)O)CO)O)O)O)O)O 608.50 unknown via CMAUP database
3-[6-O-(3-O-beta-D-Xylopyranosyl-alpha-L-rhamnopyranosyl)-beta-D-galactopyranosyloxy]-4',5,7-trihydroxyflavone 21668680 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)OC6C(C(C(CO6)O)O)O)O 726.60 unknown via CMAUP database
4',5,7-Trihydroxy-3-[2-O-alpha-L-rhamnopyranosyl-6-O-(3-O-beta-D-xylopyranosyl-alpha-L-rhamnopyranosyl)-beta-D-galactopyranosyloxy]flavone 10865825 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)COC6C(C(C(C(O6)C)O)OC7C(C(C(CO7)O)O)O)O)O)O)O)O)O 872.80 unknown via CMAUP database
4H-1-Benzopyran-4-one, 3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methylphenyl)-8-methoxy- 5492077 Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC4C(C(C(C(O4)CO)O)O)O)O 508.40 unknown via CMAUP database
Biorobin 15944778 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
Oxytroflavoside A 60200065 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)OC)C5=CC=C(C=C5)O)COC(=O)CC(C)(CC(=O)O)O)O)O)O)O)O 752.70 unknown via CMAUP database
Oxytroflavoside B 60200066 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)OC)C5=CC=C(C=C5)O)CO)O)OC(=O)CC(C)(CC(=O)O)O)O)O)O 752.70 unknown via CMAUP database
Oxytroflavoside C 60200220 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)OC)C5=CC=C(C=C5)O)CO)OC(=O)CC(C)(CC(=O)O)O)O)O)O)O 752.70 unknown via CMAUP database
Oxytroflavoside D 60200221 Click to see CC(CC(=O)O)(CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC)C4=CC=C(C=C4)O)O)O)O)O 606.50 unknown via CMAUP database
Oxytroflavoside E 60200222 Click to see CC(CC(=O)O)(CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC)C4=CC=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O 768.70 unknown via CMAUP database
Oxytroflavoside G 60200370 Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)C)O)O)O)O)O)O)O)O 754.70 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
kaempferol 3-O-[alpha-L-rhamnopyranosyl(1->2)-beta-D-galactopyranosyl]-7-O-alpha-L-rhamnopyranoside 57397583 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)O)CO)O)O)O)O)O 740.70 unknown via CMAUP database
Robinin 5281693 Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O 740.70 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
(2S)-7-Methoxyflavanone 688883 Click to see COC1=CC2=C(C=C1)C(=O)CC(O2)C3=CC=CC=C3 254.28 unknown via CMAUP database
5-Hydroxy-7-methoxy-2-phenylchroman-4-one 73201 Click to see COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O 270.28 unknown via CMAUP database
Fisetin tetramethyl ether 631171 Click to see COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OC 342.30 unknown https://doi.org/10.1248/CPB.35.4460
Liquiritigenin 7-methylether 14157884 Click to see COC1=CC2=C(C=C1)C(=O)CC(O2)C3=CC=C(C=C3)O 270.28 unknown via CMAUP database
Sakuranetin 73571 Click to see COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O 286.28 unknown via CMAUP database
> Phenylpropanoids and polyketides / Homoisoflavonoids / Homoisoflavans / Homoisoflavanones
(3S)-7-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one 26088035 Click to see C1C(C(=O)C2=C(O1)C=C(C=C2)O)CC3=CC=C(C=C3)O 270.28 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Furanoisoflavonoids / Pterocarpans
(6aR)-9,10-Dimethoxy-6aalpha,11aalpha-dihydro-6H-benzofuro[3,2-c][1]benzopyran-3,8-diol 46918735 Click to see COC1=C(C=C2C3COC4=C(C3OC2=C1OC)C=CC(=C4)O)O 316.30 unknown via CMAUP database
(l)-Edunol 182148 Click to see CC(=CCC1=CC2=C(C=C1O)OCC3C2OC4=CC5=C(C=C34)OCO5)C 352.40 unknown via CMAUP database
Maackiain 91510 Click to see C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5 284.26 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
Daidzein 5281708 Click to see C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O 254.24 unknown via CMAUP database
Pseudobaptigenin 5281805 Click to see C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4)O 282.25 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavanquinones
5-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione 10403457 Click to see COC1=C(C(=O)C(=CC1=O)C2CC3=C(C=C(C=C3)O)OC2)OC 316.30 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavonoid O-glycosides
Daidzein-4'-glucoside 49862229 Click to see C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)OC4C(C(C(C(O4)CO)O)O)O 416.40 unknown via CMAUP database
Sophoricoside 5321398 Click to see C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)OC4C(C(C(C(O4)CO)O)O)O 432.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 3-O-methylated isoflavonoids / 3-O-methylisoflavones
3'-Methoxydaidzein 5319422 Click to see COC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O 284.26 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids
(R)-Isomucronulatol 10380176 Click to see COC1=C(C(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)O)OC 302.32 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids / 3-hydroxy,4-methoxyisoflavonoids
(3R)-3-(2,3-Dihydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol 15939757 Click to see COC1=C(C(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)O)O 288.29 unknown via CMAUP database
2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(3-hydroxy-2,4-dimethoxyphenyl)-, (3R)- 13873811 Click to see COC1=C(C(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC)O 302.32 unknown via CMAUP database
Calycosin 5280448 Click to see COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O 284.26 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids / 4-O-methylisoflavones
2'-Hydroxybiochanin A 5282075 Click to see COC1=CC(=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O 300.26 unknown via CMAUP database
Formononetin 5280378 Click to see COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O 268.26 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 7-O-methylated isoflavonoids / 7-O-methylisoflavones
Isoformononetin 3764 Click to see COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O 268.26 unknown via CMAUP database
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / 2-Hydroxy-dihydrochalcones
2',4'-Dihydroxydihydrochalcone 586491 Click to see C1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2)O)O 242.27 unknown via CMAUP database
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / 2-Hydroxychalcones
1-(2-Hydroxy-4-methoxyphenyl)-3-phenylprop-2-en-1-one 265720 Click to see COC1=CC(=C(C=C1)C(=O)C=CC2=CC=CC=C2)O 254.28 unknown via CMAUP database
2-Propen-1-one, 1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)- 592216 Click to see COC1=CC(=C(C=C1)C(=O)C=CC2=CC=C(C=C2)O)O 270.28 unknown via CMAUP database
2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-phenyl- 344530 Click to see C1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)O)O 240.25 unknown via CMAUP database
2',4'-Dihydroxychalcone 5376979 Click to see C1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)O)O 240.25 unknown via CMAUP database
Chalcone, 2',4'-dihydroxy-4-methoxy- 166795 Click to see COC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)O)O 270.28 unknown via CMAUP database
GU17;ISL;Isoliquiritigen 425 Click to see C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O 256.25 unknown via CMAUP database
Trihydroxychalcone 638278 Click to see C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O 256.25 unknown via CMAUP database
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / 3-prenylated chalcones
1-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one 193568 Click to see CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=CC=C(C=C2)O)O)C 324.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Cinnamylphenols
1-(4-Hydroxy-2-methoxyphenyl)-3-phenylprop-2-en-1-one 71442332 Click to see COC1=C(C=CC(=C1)O)C(=O)C=CC2=CC=CC=C2 254.28 unknown via CMAUP database
> Phenylpropanoids and polyketides / Macrolides and analogues
Oxacyclohexadecan-2-one 235414 Click to see C1CCCCCCCOC(=O)CCCCCC1 240.38 unknown via CMAUP database
> Phenylpropanoids and polyketides / Ochratoxins and related substances
(R)N-(5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)phenylalanine 4580 Click to see CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl 403.80 unknown via CMAUP database

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