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Perilla frutescens

Perilla frutescens - 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 UUID643fe6ad7118b092375839
Scientific name Perilla frutescens
Authority (L.) Britton
First published in Mem. Torrey Bot. Club 5: 277 (1894)

Description Top

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No description added yet. Help us by writing one.

Synonyms Top

Scientific name Authority First published in
Ocimum frutescens L. Sp. Pl. : 597 (1753)
Perilla frutescens var. laviniata W.Mill. & L.H.Bailey Stand. Cycl. Hort. 5: 2553. 1916
Perilla ocymoides L. Gen. Pl. ed. 6 : 578 (1764)
Perilla ocymoides var. japonica Hassk. Retzia 2: 36. 1856
Perilla ocymoides var. purpurascens Hayata Icon. Pl. Formosan. 8: 103 1919
Perilla urticifolia Salisb. Prodr. Stirp. Chap. Allerton : 80 (1796)
Perilla ocymoides f. discolor Makino Bot. Mag. (Tokyo) 26: 78 1912
Perilla ocymoides f. purpurea Makino Bot. Mag. (Tokyo) 26: 78 1912
Perilla ocymoides f. viridis Makino Bot. Mag. (Tokyo) 26: 78 1912
Perilla ocymoides f. viridicrispa Makino Bot. Mag. (Tokyo) 28: 180 1914
Melissa cretica [Soland.] Nat. Hist. Aleppo, ed. 2 [A. Russell] ii. 256. 1794

Common names Top

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Language Common/alternative name
English perilla
English korean perilla
English deulkkae
Arabic بريلة
Azerbaijani kolşəkilli perilla
Czech perila křovitá
Esperanto duonligna periljo
Persian شیسو
Finnish veripeippi
Croatian crna kopriva
Japanese エゴマ
Japanese 荏
Japanese 荏胡麻
Korean 들깨
la perilla avium
la perilla frutescens var. auriculatodentata
la perilla frutescens var. frutescens
la melissa cretica
la ocimum frutescens
la perilla frutescens var. purpurascens
la melissa maxima
la perilla frutescens f. crispidiscolor
la mentha perilloides
la perilla frutescens var. laviniata
la perilla ocymoides
la perilla ocymoides f. discolor
la perilla ocymoides f. purpurea
la perilla ocymoides f. viridicrispa
la perilla ocymoides f. viridis
la perilla ocymoides var. japonica
la perilla ocymoides var. purpurascens
la perilla shimadae
la perilla albiflora
la perilla urticifolia
lzh 野荏
lzh 水荏
lzh 白蘇
lzh 荏子
Nepali सिलाम
Polish pachnotka krzewiasta
Polish pachnotka zwyczajna
Polish pachnotka bazyliowata
Chinese 蘇子
Chinese 蘇葉
Chinese 蘇子葉
Chinese 紫苏梗
Chinese 大紫苏
Chinese 叶为紫苏叶
Chinese 兴帕夏噶
Chinese 紫苏（白苏）
Chinese 紫苏(白苏）
Chinese 白苏梗
Chinese 白苏子油
Chinese 白苏子
Chinese 白苏叶
Chinese 白苏
Chinese 苏头
Chinese 头为紫苏头蔸
Chinese 紫苏子
Chinese 紫苏叶
Chinese 紫苏
Chinese 荏
Chinese 桂荏
Chinese 假紫苏
Chinese 鸡苏
Chinese 苏
Chinese 野苏麻
Chinese 野生紫苏
Chinese 薄荷
Chinese 赤苏
Chinese 白紫蘇
Chinese 苏子叶
Chinese 苏子
Chinese 苏叶
Chinese 白蘇
Chinese 紫蘇
Chinese 黑苏
Chinese 香苏
Chinese 青苏
Chinese 野藿麻
Chinese 野紫苏子
Chinese 香荽
Chinese 荏子
Chinese 臭苏
Chinese 聋耳麻
Chinese 红勾苏
Chinese 白紫苏
Chinese 江苏
Chinese 水升麻
Chinese 梗为紫苏梗
Chinese 孜珠
Chinese 子为紫苏子

Subspecies (abbr. subsp./ssp.) Top

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Varieties (abbr. var.) Top

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Name Authority First published in
Perilla frutescens var. crispa (Thunb.) H.Deane Rhodora 25: 40 1923
Perilla frutescens var. crispa W.Deane Rhodora 25: 40 (1923)
Perilla frutescens var. frutescens Unknown
Perilla frutescens var. hirtella (Nakai) Makino Fl. Japan , ed. 2: 218 (1931)

Subvarieties (abbr. subvar.) Top

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No subvariety added yet.

Forms (abbr. f.) Top

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No forms added yet.

Germination/Propagation Top

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Sow seeds at 20°C, expecting germination within 3 months without further temperature treatment.
Requires Light or Surface Sowing: These seeds need light to germinate and should not be covered with soil or only very lightly. They are often very small and sown directly on the surface of the growing medium.

Distribution (via POWO/KEW) Top

Legend for the distribution data:
- Doubtful data
- Extinct
- Introduced
- Native
  • Asia-temperate
    • Caucasus
      • Transcaucasus
    • China
      • China South-central
      • China Southeast
    • Eastern Asia
      • Japan
      • Korea
      • Taiwan
    • Russian Far East
      • Khabarovsk
      • Primorye
  • Asia-tropical
    • Indian Subcontinent
      • Assam
      • Bangladesh
      • East Himalaya
      • India
      • Nepal
      • West Himalaya
    • Indo-China
      • Cambodia
      • Laos
      • Myanmar
      • Thailand
      • Vietnam
    • Malesia
      • Jawa
  • Europe
    • Eastern Europe
      • South European Russia
      • Ukraine
    • Southeastern Europe
      • Romania
  • Northern America
    • Eastern Canada
      • Ontario
    • North-central U.S.A.
      • Illinois
      • Iowa
      • Kansas
      • Minnesota
      • Missouri
      • Nebraska
      • Oklahoma
      • Wisconsin
    • Northeastern U.S.A.
      • Connecticut
      • Indiana
      • Massachusetts
      • Michigan
      • New Jersey
      • New York
      • Ohio
      • Pennsylvania
      • West Virginia
    • South-central U.S.A.
      • Texas
    • Southeastern U.S.A.
      • Alabama
      • Arkansas
      • Delaware
      • District Of Columbia
      • Florida
      • Georgia
      • Kentucky
      • Louisiana
      • Maryland
      • Mississippi
      • North Carolina
      • South Carolina
      • Tennessee
      • Virginia

Links to other databases Top

Suggest others/fix!
Database ID/link to page
World Flora Online wfo-0000267281
UNII XUR646842C
Florida Plant Atlas 1658
Flora of Alabama 2435
Canadensys 6430
USDA Plants PEFR4
Tropicos 17601586
INPN 610862
Flora of Italy 4658
KEW urn:lsid:ipni.org:names:190343-2
The Plant List kew-150299
Missouri Botanical Garden 281498
Open Tree Of Life 295678
Observations.org 125823
NCBI Taxonomy 151328
NBN Atlas NBNSYS0200002825
Nature Serve 2.151611
IUCN Red List 149445472
IPNI 190343-2
iNaturalist 119136
GBIF 5341394
WisFlora 8387
EPPO PRJFR
EOL 579366
USDA GRIN 27364
Wikipedia Perilla_frutescens
CMAUP NPO8650

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
Naturally Occurring Phorbol Esters Evans CRC Press 11-Mar-2018
doi:10.1201/9781351074940
Anthocyanins and Flavones in Leaves and Seeds of<i>Perilla</i>Plant Nariyuki Ishikura Oxford University Press (OUP) 13-Apr-2016
doi:10.1080/00021369.1981.10864793
Study of the Essential Oil of Wild Perilla and the Stereospecific Reduction of (−)‐Piperitone Ping‐Hsien Yeh Wiley 04-Jun-2015
doi:10.1002/JCCS.196000004
Identification and quantitation of phenolic compounds from the seed and pomace of Perilla frutescens using HPLC/PDA and HPLC-ESI/QTOF/MS/MS. Guan Z, Li S, Lin Z, Yang R, Zhao Y, Liu J, Yang S, Chen A Phytochem Anal 01-Nov-2014
doi:10.1002/PCA.2521
PMID:24737524
Headspace-solid phase microextraction-gas chromatography-tandem mass spectrometry (HS-SPME-GC-MS2) method for the determination of pyrazines in perilla seed oils: impact of roasting on the pyrazines in perilla seed oils. Kwon TY, Park JS, Jung MY J Agric Food Chem 11-Sep-2013
doi:10.1021/JF402487A
PMID:23968142
Chemical Composition of the Essential Oil of<i>Tagetes minuta</i>L. M. Moghaddam, R. Omidbiagi, F. Sefidkon Informa UK Limited 24-Apr-2012
doi:10.1080/10412905.2007.9699213
Essential Oil Constituents from the Aerial Parts of<i>Perilla frutescens</i>(L.) Britton Nguyêñ Xuân Dũng, Lã Dình Mõi, Lu'u Dàm Cu', Piet A. Leclercq Informa UK Limited 24-Apr-2012
doi:10.1080/10412905.1995.9698555
Estrogens in the short-day plants Perilla ocimoides and Chenopodium rubrum grown under inductive and noninductive light conditions Jan Kopcewicz Elsevier BV 05-Apr-2012
doi:10.1016/S0044-328X(72)80100-4
Influence of the active compounds of Perilla frutescens leaves on lipid membranes. Duelund L, Amiot A, Fillon A, Mouritsen OG J Nat Prod 24-Feb-2012
doi:10.1021/NP200713Q
PMID:22272932
Studies on the Chemical Constitution of Perilla-aldehyde, the Component of the Oil of Perilla nankinensis Sigehiro ABE The Chemical Society of Japan 04-Aug-2011
doi:10.1246/NIKKASHI1921.64.845
Supplemental Experiments on Perilla Ketone Yeigai SEBE The Chemical Society of Japan 04-Aug-2011
doi:10.1246/NIKKASHI1921.64.1130
Determination of Perilla ketone in Perilla Herb by capillary gas chromatography/mass spectrometry. ICHIRO TAKANO, ICHIRO YASUDA, TOMOKO HAMANO, TAKAKO SETO, KAZUYUKI AKIYAMA Pharmaceutical Society of Japan 13-Jul-2011
doi:10.1248/JHS1956.36.320
Structure of anthocyanins isolated from purple leaves of Perilla ocimoides L. var. crispa benth and their isomerization by irradiation of light. Kumi YOSHIDA, Tadao KONDO, Kiyoshi KAMEDA, Toshio GOTO Oxford University Press (OUP) 13-Jul-2011
doi:10.1271/BBB1961.54.1745
Production of phenyl-propanoids from cultured callus tissue of the leaves of akachirimen-shiso (Perilla sp.). Hirotoshi TAMURA, Masahiro FUJIWARA, Hiroshi SUGISAWA Oxford University Press (OUP) 13-Jul-2011
doi:10.1271/BBB1961.53.1971
Incorporation of R,S-(6,6,6-2H3)-mevalonate into sesquiterpenes by callus of Perilla sp. Kensuke NABETA, Toshikatsu ODA, Hiroshi SUGISAWA Oxford University Press (OUP) 13-Jul-2011
doi:10.1271/BBB1961.50.2915

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
(R)-mandelonitrile 9548674 Click to see C1=CC=C(C=C1)C(C#N)O 133.15 unknown via CMAUP database
(S)-Mandelonitrile 439767 Click to see C1=CC=C(C=C1)C(C#N)O 133.15 unknown via CMAUP database
Benzaldehyde, oxime, (Z)- 5324470 Click to see C1=CC=C(C=C1)C=NO 121.14 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
Methyl benzoate 7150 Click to see COC(=O)C1=CC=CC=C1 136.15 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 / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids
Gallic Acid 370 Click to see C1=C(C=C(C(=C1O)O)O)C(=O)O 170.12 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 / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / P-methoxybenzoic acids and derivatives
3-Hydroxy-4-methoxybenzoic acid 12575 Click to see COC1=C(C=C(C=C1)C(=O)O)O 168.15 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / p-Hydroxybenzoic acid esters / p-Hydroxybenzoic acid alkyl esters
Protocatechuic acid, methyl ester 287064 Click to see COC(=O)C1=CC(=C(C=C1)O)O 168.15 unknown https://doi.org/10.1271/BBB.60.1093
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
Benzaldehyde 240 Click to see C1=CC=C(C=C1)C=O 106.12 unknown https://doi.org/10.1021/JF00023A054
https://doi.org/10.1080/10412905.1995.9698555
https://doi.org/10.1016/0031-9422(83)83016-7
> Benzenoids / Benzene and substituted derivatives / Cumenes
m-Cymene 10812 Click to see CC1=CC(=CC=C1)C(C)C 134.22 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 / Phenylpropanes
4-[(2~{R})-butan-2-yl]phenol 38989049 Click to see CCC(C)C1=CC=C(C=C1)O 150.22 unknown via CMAUP database
> Benzenoids / Naphthalenes / Naphthalenecarboxylic acids and derivatives / Naphthalenecarboxylic acids
Fisheacid 139583718 Click to see C1C(C(=CC2=CC=CC=C21)C3=CC4=CC=CC=C4CC3C(=O)O)C(=O)O 346.40 unknown https://doi.org/10.1271/BBB1961.54.1745
> Benzenoids / Phenol ethers / Anisoles
alpha-Asarone 636822 Click to see CC=CC1=CC(=C(C=C1OC)OC)OC 208.25 unknown via CMAUP database
Anisole 7519 Click to see COC1=CC=CC=C1 108.14 unknown via CMAUP database
beta-Asarone 5281758 Click to see CC=CC1=CC(=C(C=C1OC)OC)OC 208.25 unknown via CMAUP database
Elemicin 10248 Click to see COC1=CC(=CC(=C1OC)OC)CC=C 208.25 unknown https://doi.org/10.1055/S-2006-961996
https://doi.org/10.1016/0031-9422(86)80017-6
https://doi.org/10.1016/0031-9422(86)80070-X
Estragole 8815 Click to see COC1=CC=C(C=C1)CC=C 148.20 unknown https://doi.org/10.1080/10412905.2007.9699213
> Benzenoids / Phenols / Benzenediols / Catechols
(2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanamide 130619547 Click to see C1=CC(=C(C=C1CC(C(=O)N)O)O)O 197.19 unknown https://doi.org/10.1248/CPB.43.887
(5S)-5-[(3,4-dihydroxyphenyl)methyl]-1,3-oxazolidine-2,4-dione 163025275 Click to see C1=CC(=C(C=C1CC2C(=O)NC(=O)O2)O)O 223.18 unknown https://doi.org/10.1248/CPB.43.887
2-Hydroxy-3-(3,4-dihydroxyphenyl)propanamide 10035593 Click to see C1=CC(=C(C=C1CC(C(=O)N)O)O)O 197.19 unknown https://doi.org/10.1248/CPB.43.887
5-[(3,4-Dihydroxyphenyl)methyl]-1,3-oxazolidine-2,4-dione 10013832 Click to see C1=CC(=C(C=C1CC2C(=O)NC(=O)O2)O)O 223.18 unknown https://doi.org/10.1248/CPB.43.887
> Benzenoids / Phenols / Methoxyphenols
Eugenol 3314 Click to see COC1=C(C=CC(=C1)CC=C)O 164.20 unknown https://doi.org/10.1016/0031-9422(83)83016-7
Isoeugenol 853433 Click to see CC=CC1=CC(=C(C=C1)O)OC 164.20 unknown https://doi.org/10.1021/JF00023A054
Phenol, 2-methoxy(2-propenyl)- 596373 Click to see COC1=C(C=CC=C1O)CC=C 164.20 unknown via CMAUP database
Propenylguaiacol 7338 Click to see CC=CC1=CC(=C(C=C1)O)OC 164.20 unknown https://doi.org/10.1021/JF00023A054
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Dodecane 8182 Click to see CCCCCCCCCCCC 170.33 unknown via CMAUP database
n-HEXANE 8058 Click to see CCCCCC 86.18 unknown via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
1,5,9,9-Tetramethyl-1,4,7-cycloundecatriene 5368784 Click to see CC1=CCC=C(CC=CC(CC1)(C)C)C 204.35 unknown via CMAUP database
Octatriene, dimethyl- 6434062 Click to see CC(C)C=CC=C(C)C=C 136.23 unknown https://doi.org/10.1021/JF00023A054
> Lignans, neolignans and related compounds / Cyclobutane lignans
1-[(1R,2R)-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene 5318447 Click to see CC1C(C(C1C2=CC(=C(C=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC)C 416.50 unknown https://doi.org/10.1016/S0960-894X(01)00812-5
1beta,2alpha-Dimethyl-3beta,4alpha-bis(2,4,5-trimethoxyphenyl)cyclobutane 10341859 Click to see CC1C(C(C1C2=CC(=C(C=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC)C 416.50 unknown https://doi.org/10.1016/S0960-894X(01)00812-5
Heterotropan 126324 Click to see CC1C(C(C1C2=CC(=C(C=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC)C 416.50 unknown https://doi.org/10.1016/S0960-894X(01)00812-5
Magnosalin 10454589 Click to see CC1C(C(C1C2=CC(=C(C=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC)C 416.50 unknown https://doi.org/10.1016/S0960-894X(01)00812-5
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
(Z)-9,10-dideuteriooctadec-9-enoic acid 13011408 Click to see CCCCCCCCC=CCCCCCCCC(=O)O 284.50 unknown via CMAUP database
Arachidic Acid 10467 Click to see CCCCCCCCCCCCCCCCCCCC(=O)O 312.50 unknown via CMAUP database
Dihomo-gamma-linolenic acid 5280581 Click to see CCCCCC=CCC=CCC=CCCCCCCC(=O)O 306.50 unknown via CMAUP database
Elaidic Acid 637517 Click to see CCCCCCCCC=CCCCCCCCC(=O)O 282.50 unknown via CMAUP database
Gondoic Acid 5282768 Click to see CCCCCCCCC=CCCCCCCCCCC(=O)O 310.50 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
Stearate 3033836 Click to see CCCCCCCCCCCCCCCCCC(=O)[O-] 283.50 unknown via CMAUP database
Stearic Acid 5281 Click to see CCCCCCCCCCCCCCCCCC(=O)O 284.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
(3E,9E)-undeca-3,9-dienoic acid 52914864 Click to see CC=CCCCCC=CCC(=O)O 182.26 unknown via CMAUP database
12-Deuteriododecanoic acid 11252659 Click to see CCCCCCCCCCCC(=O)O 201.32 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
(3R)-3-(beta-D-Glucopyranosyloxy)-5-phenylpentanoic acid 11792570 Click to see C1=CC=C(C=C1)CCC(CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O 356.40 unknown https://doi.org/10.1271/BBB.60.732
(R)-Linaryl beta-D-glucopyranoside 38358979 Click to see CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O)C 316.39 unknown via CMAUP database
2-(3,7-Dimethylocta-1,6-dien-3-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol 14190656 Click to see CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O)C 316.39 unknown https://doi.org/10.1016/0031-9422(94)85096-8
2-[2-Pent-2-enyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopentyl]acetic acid 74817087 Click to see CCC=CCC1C(CCC1OC2C(C(C(C(O2)CO)O)O)O)CC(=O)O 374.40 unknown https://doi.org/10.1271/BBB.60.732
2-[3-Oxo-2-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid 4480898 Click to see C1CC(=O)C(C1CC(=O)O)CC=CCCOC2C(C(C(C(O2)CO)O)O)O 388.40 unknown https://doi.org/10.1271/BBB.60.732
Cyclopentaneacetic acid, 3-(beta-D-glucopyranosyloxy)-2-(2-pentenyl)-, [1R-[1alpha,2beta(Z),3alpha]]- 163086025 Click to see CCC=CCC1C(CCC1OC2C(C(C(C(O2)CO)O)O)O)CC(=O)O 374.40 unknown https://doi.org/10.1271/BBB.60.732
D-Linalool 3-glucoside 10087123 Click to see CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O)C 316.39 unknown https://doi.org/10.1016/0031-9422(94)85096-8
Tuberonic acid glucoside 5281204 Click to see C1CC(=O)C(C1CC(=O)O)CC=CCCOC2C(C(C(C(O2)CO)O)O)O 388.40 unknown https://doi.org/10.1271/BBB.60.732
xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside 16681750 Click to see C1=CC=C(C=C1)CCC(CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O 356.40 unknown https://doi.org/10.1271/BBB.60.732
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
(3R)-oct-1-en-3-ol 6992244 Click to see CCCCCC(C=C)O 128.21 unknown via CMAUP database
(3S)-octan-3-ol 6999002 Click to see CCCCCC(CC)O 130.23 unknown via CMAUP database
(R)-3-Octanol 445789 Click to see CCCCCC(CC)O 130.23 unknown via CMAUP database
(S)-1-Octen-3-ol 2724898 Click to see CCCCCC(C=C)O 128.21 unknown via CMAUP database
1-Hexanol 8103 Click to see CCCCCCO 102.17 unknown via CMAUP database
1-Octen-3-OL 18827 Click to see CCCCCC(C=C)O 128.21 unknown https://doi.org/10.1016/0031-9422(83)83016-7
10-Undecyn-1-ol 76015 Click to see C#CCCCCCCCCCO 168.28 unknown via CMAUP database
2-Hexen-1-OL 5318042 Click to see CCCC=CCO 100.16 unknown via CMAUP database
3-Hexen-1-ol 10993 Click to see CCC=CCCO 100.16 unknown https://doi.org/10.1016/0031-9422(83)83016-7
3-Octanol 11527 Click to see CCCCCC(CC)O 130.23 unknown https://doi.org/10.1080/10412905.1995.9698555
https://doi.org/10.1016/0031-9422(83)83016-7
cis-2-Hexen-1-ol 5324489 Click to see CCCC=CCO 100.16 unknown via CMAUP database
cis-3-Hexen-1-ol 5281167 Click to see CCC=CCCO 100.16 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
Linoleic Acid 5280450 Click to see CCCCCC=CCC=CCCCCCCCC(=O)O 280.40 unknown https://doi.org/10.1007/BF02662172
Linolenic Acid 5280934 Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O 278.40 unknown https://doi.org/10.1007/BF02662172
Octadeca-9,12,15-trienoic acid 5282822 Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O 278.40 unknown https://doi.org/10.1007/BF02662172
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives / Jasmonic acids
Tuberonic acid 6443968 Click to see C1CC(=O)C(C1CC(=O)O)CC=CCCO 226.27 unknown via CMAUP database
> Lipids and lipid-like molecules / Glycerolipids / Monoradylglycerols / Monoacylglycerols / 1-monoacylglycerols
2,3-Dihydroxypropyl hexadecanoate 14900 Click to see CCCCCCCCCCCCCCCC(=O)OCC(CO)O 330.50 unknown https://doi.org/10.1271/BBB.58.2241
Glyceryl monooleate 5283468 Click to see CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O 356.50 unknown https://doi.org/10.1271/BBB.58.2241
> Lipids and lipid-like molecules / Glycerolipids / Triradylcglycerols / Triacylglycerols
Trilinolein 5322095 Click to see CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC 879.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids
(E,7R,11R)-15-methyl-3,7,11-tri((113C)methyl)(1,5,9,13,16-13C5)hexadec-2-en-1-ol 11301173 Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C 304.47 unknown via CMAUP database
(E)-(7R,11R)-3,7,11,15-tetramethylhexadec-2-ene-1-ol 145386 Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C 296.50 unknown via CMAUP database
3,7,11,15-Tetramethyl-2-hexadecen-1-OL 5366244 Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C 296.50 unknown via CMAUP database
Benzoicacidcyanomethylester 5320547 Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C 296.50 unknown via CMAUP database
cis-Phytol 6430833 Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C 296.50 unknown via CMAUP database
Phytol 5280435 Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C 296.50 unknown via CMAUP database
Phytol [FHFI] 9018 Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C 296.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Isoprenoid phosphates
Geranyl diphosphate 445995 Click to see CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C 314.21 unknown https://doi.org/10.1016/0031-9422(86)80017-6
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
(2E)-2,3,7-trimethylocta-2,6-dienoate 22565016 Click to see CC(=CCCC(=C(C)C(=O)[O-])C)C 181.25 unknown via CMAUP database
3,7-Dimethyl-2,6-octadien-1-al 8843 Click to see CC(=CCCC(=CC=O)C)C 152.23 unknown https://doi.org/10.1016/0031-9422(90)87094-B
3,7-Dimethylocta-2,6-dienenitrile 1551246 Click to see CC(=CCCC(=CC#N)C)C 149.23 unknown via CMAUP database
beta-OCIMENE, (3E)- 5281553 Click to see CC(=CCC=C(C)C=C)C 136.23 unknown https://doi.org/10.1021/JF00023A054
beta-Ocimene, (3Z)- 5320250 Click to see CC(=CCC=C(C)C=C)C 136.23 unknown https://doi.org/10.1080/10412905.1995.9698555
Citral 638011 Click to see CC(=CCCC(=CC=O)C)C 152.23 unknown https://doi.org/10.1016/0031-9422(90)87094-B
https://doi.org/10.1007/BF00554619
Geraniol 637566 Click to see CC(=CCCC(=CCO)C)C 154.25 unknown https://doi.org/10.1016/0031-9422(91)83022-D
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 https://doi.org/10.1016/0031-9422(83)83016-7
https://doi.org/10.1021/JF00023A054
https://doi.org/10.1080/10412905.1995.9698555
Methyl geranate 5365910 Click to see CC(=CCCC(=CC(=O)OC)C)C 182.26 unknown via CMAUP database
Methyl-3,7-dimethyl-2,6-octadienoate 70917 Click to see CC(=CCCC(=CC(=O)OC)C)C 182.26 unknown via CMAUP database
Myrcene 31253 Click to see CC(=CCCC(=C)C=C)C 136.23 unknown https://doi.org/10.1021/JF00023A054
https://doi.org/10.1080/10412905.1995.9698555
Neral 643779 Click to see CC(=CCCC(=CC=O)C)C 152.23 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
2-Isopropyl-5-methylanisole 14104 Click to see CC1=CC(=C(C=C1)C(C)C)OC 164.24 unknown via CMAUP database
4-Isopropylbenzoic acid 10820 Click to see CC(C)C1=CC=C(C=C1)C(=O)O 164.20 unknown via CMAUP database
Carvacrol 10364 Click to see CC1=C(C=C(C=C1)C(C)C)O 150.22 unknown via CMAUP database
p-CYMENE 7463 Click to see CC1=CC=C(C=C1)C(C)C 134.22 unknown https://doi.org/10.1016/0031-9422(83)83016-7
https://doi.org/10.1080/10412905.1995.9698555
Thymol 6989 Click to see CC1=CC(=C(C=C1)C(C)C)O 150.22 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(-)-alpha-Pinene 440968 Click to see CC1=CCC2CC1C2(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
(+)-beta-Pinene 10290825 Click to see CC1(C2CCC(=C)C1C2)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
(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
alpha-Bergamotene 86608 Click to see CC1=CCC2CC1C2(C)CCC=C(C)C 204.35 unknown https://doi.org/10.1021/JF00023A054
alpha-CIS-BERGAMOTENE 6429303 Click to see CC1=CCC2CC1C2(C)CCC=C(C)C 204.35 unknown via CMAUP database
alpha-PINENE 6654 Click to see CC1=CCC2CC1C2(C)C 136.23 unknown https://doi.org/10.1080/10412905.1995.9698555
beta-Pinene 14896 Click to see CC1(C2CCC(=C)C1C2)C 136.23 unknown https://doi.org/10.1016/0031-9422(83)83016-7
https://doi.org/10.1021/JF00023A054
https://doi.org/10.1080/10412905.1995.9698555
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 https://doi.org/10.1080/10412905.1995.9698555
L-Born-2-yl acetate 44630108 Click to see CC(=O)OC1CC2CCC1(C2(C)C)C 196.29 unknown via CMAUP database
Sabinen 18818 Click to see CC(C)C12CCC(=C)C1C2 136.23 unknown https://doi.org/10.1080/10412905.1995.9698555
https://doi.org/10.1021/JF00023A054
trans-alpha-Bergaptene 6428986 Click to see CC1=CCC2CC1C2(C)CCC=C(C)C 204.35 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
(-)-Pulegone 638012 Click to see CC1CCC(=C(C)C)C(=O)C1 152.23 unknown via CMAUP database
(+) Menthol 12285346 Click to see CC1CCC(C(C1)O)C(C)C 156.26 unknown via CMAUP database
(+)-Menthol 165675 Click to see CC1CCC(C(C1)O)C(C)C 156.26 unknown via CMAUP database
(+)-Neomenthol 439263 Click to see CC1CCC(C(C1)O)C(C)C 156.26 unknown via CMAUP database
(+)-Perillaldehyde 1548901 Click to see CC(=C)C1CCC(=CC1)C=O 150.22 unknown https://doi.org/10.1002/CBER.19110440107
(3S)-3alpha-Hydroxy-4beta-(1-methylethenyl)-1-cyclohexene-1-carbaldehyde 10725727 Click to see CC(=C)C1CCC(=CC1O)C=O 166.22 unknown https://doi.org/10.1016/0031-9422(96)00378-0
[(4R)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol 11788398 Click to see CC(=C)C1CCC(=CC1)CO 152.23 unknown via CMAUP database
1-Methylene-4-(1-methylvinyl)cyclohexane 68140 Click to see CC(=C)C1CCC(=C)CC1 136.23 unknown https://doi.org/10.1021/JF00023A054
3-Hydroxy-p-mentha-1,8-dien-7-al 85247137 Click to see CC(=C)C1CCC(=CC1O)C=O 166.22 unknown https://doi.org/10.1016/0031-9422(96)00378-0
4-Isopropenylcyclohexene-1-carboxylic acid 2724160 Click to see CC(=C)C1CCC(=CC1)C(=O)O 166.22 unknown https://doi.org/10.1021/NP200713Q
alpha-PHELLANDRENE 7460 Click to see CC1=CCC(C=C1)C(C)C 136.23 unknown https://doi.org/10.1080/10412905.1995.9698555
Alpha-Terpineol 17100 Click to see CC1=CCC(CC1)C(C)(C)O 154.25 unknown https://doi.org/10.1021/JF00023A054
alpha-Terpinyl acetate 111037 Click to see CC1=CCC(CC1)C(C)(C)OC(=O)C 196.29 unknown https://doi.org/10.1021/JF00023A054
Carvone, (-)- 439570 Click to see CC1=CCC(CC1=O)C(=C)C 150.22 unknown via CMAUP database
Carvone, (+)- 16724 Click to see CC1=CCC(CC1=O)C(=C)C 150.22 unknown https://doi.org/10.1080/10412905.1995.9698555
Carvone, (+/-)- 7439 Click to see CC1=CCC(CC1=O)C(=C)C 150.22 unknown https://doi.org/10.1080/10412905.1995.9698555
Dihydrocarvyl acetate 30248 Click to see CC1CCC(CC1OC(=O)C)C(=C)C 196.29 unknown via CMAUP database
Isodihydrocarveol acetate 1268040 Click to see CC1CCC(CC1OC(=O)C)C(=C)C 196.29 unknown via CMAUP database
l-Menthol 16666 Click to see CC1CCC(C(C1)O)C(C)C 156.26 unknown via CMAUP database
l-Menthyl propionate 221455 Click to see CCC(=O)OC1CC(CCC1C(C)C)C 212.33 unknown via CMAUP database
Limonene, (-)- 439250 Click to see CC1=CCC(CC1)C(=C)C 136.23 unknown https://doi.org/10.1016/0031-9422(86)80017-6
Limonene, (+)- 440917 Click to see CC1=CCC(CC1)C(=C)C 136.23 unknown https://doi.org/10.1021/NP200713Q
Limonene, (+/-)- 22311 Click to see CC1=CCC(CC1)C(=C)C 136.23 unknown https://doi.org/10.1016/0031-9422(83)83016-7
https://doi.org/10.1021/NP200713Q
https://doi.org/10.1021/JF00023A054
https://doi.org/10.1080/10412905.1995.9698555
https://doi.org/10.1016/0031-9422(91)83022-D
Menthol 1254 Click to see CC1CCC(C(C1)O)C(C)C 156.26 unknown via CMAUP database
Menthone 26447 Click to see CC1CCC(C(=O)C1)C(C)C 154.25 unknown via CMAUP database
p-Menth-4(8)-en-3-one 6988 Click to see CC1CCC(=C(C)C)C(=O)C1 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
Perilla alcohol 369312 Click to see CC(=C)C1CCC(=CC1)CO 152.23 unknown https://doi.org/10.1021/JF00023A054
https://doi.org/10.1021/NP200713Q
Perillaldehyde 16441 Click to see CC(=C)C1CCC(=CC1)C=O 150.22 unknown https://doi.org/10.1201/9781351074940
https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<221::AID-FFJ716>3.0.CO;2-Z
https://doi.org/10.1080/10412905.2007.9699213
https://doi.org/10.1016/0031-9422(86)80017-6
https://doi.org/10.1021/JF00023A054
https://doi.org/10.1246/NIKKASHI1921.64.845
https://doi.org/10.1248/CPB.34.1672
https://doi.org/10.1021/NP200713Q
https://doi.org/10.1016/S0031-9422(00)83738-3
https://doi.org/10.1002/CBER.19110440107
Perillaldehyde, (-)- 2724159 Click to see CC(=C)C1CCC(=CC1)C=O 150.22 unknown https://doi.org/10.1248/CPB.34.1672
https://doi.org/10.1007/BF01898448
Perillic acid 1256 Click to see CC(=C)C1CCC(=CC1)C(=O)O 166.22 unknown https://doi.org/10.1021/NP200713Q
Perillyl alcohol 10819 Click to see CC(=C)C1CCC(=CC1)CO 152.23 unknown https://doi.org/10.1021/JF00023A054
Piperitone 6987 Click to see CC1=CC(=O)C(CC1)C(C)C 152.23 unknown https://doi.org/10.1080/10412905.1995.9698555
Pulegone 442495 Click to see CC1CCC(=C(C)C)C(=O)C1 152.23 unknown https://doi.org/10.1021/JF00023A054
Terpinolene 11463 Click to see CC1=CCC(=C(C)C)CC1 136.23 unknown https://doi.org/10.1021/JF00023A054
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin E compounds / Tocopherols
Alpha-Tocopherol 14985 Click to see CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C 430.70 unknown via CMAUP database
delta-Tocopherol 92094 Click to see CC1=CC(=CC2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)O 402.70 unknown via CMAUP database
DL-alpha-Tocopherol 2116 Click to see CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C 430.70 unknown via CMAUP database
gamma-Tocopherol 92729 Click to see CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O 416.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(-)-alpha-Curcumene 442360 Click to see CC1=CC=C(C=C1)C(C)CCC=C(C)C 202.33 unknown https://doi.org/10.1271/BBB1961.50.2915
https://doi.org/10.1271/BBB.57.792
(-)-beta-Bourbonene 324224 Click to see CC(C)C1CCC2(C1C3C2CCC3=C)C 204.35 unknown https://doi.org/10.1080/10412905.1995.9698555
(+)-beta-Caryophyllene 20831623 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown via CMAUP database
(+)-delta-Cadinene 441005 Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C 204.35 unknown https://doi.org/10.1080/10412905.1995.9698555
(+)-Nerolidol 5356544 Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 unknown via CMAUP database
(+)(-)-(E)-beta-caryophyllene 14757966 Click to see CC1(CC2C1CCC(=C)CCCC2=C)C 204.35 unknown via CMAUP database
(1E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene 134687947 Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C 204.35 unknown https://doi.org/10.1021/JF00023A054
(1R,2S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene 92042749 Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C 204.35 unknown https://doi.org/10.1080/10412905.1995.9698555
https://doi.org/10.1016/0031-9422(83)83016-7
(3R,6E)-nerolidol 11241545 Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 unknown via CMAUP database
(3S,6E)-Nerolidol 5281525 Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 unknown via CMAUP database
(4Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene 5322111 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown via CMAUP database
(E,Z)-farnesol 1549109 Click to see CC(=CCCC(=CCCC(=CCO)C)C)C 222.37 unknown https://doi.org/10.1271/BBB.57.792
(E)-beta-farnesene 10407 Click to see CC(=CCCC(=CCCC(=C)C=C)C)C 204.35 unknown via CMAUP database
(R)-beta-bisabolene 68128 Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C 204.35 unknown https://doi.org/10.1271/BBB.57.792
https://doi.org/10.1271/BBB1961.50.2915
(Z)-caryophyllene 6429301 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown via CMAUP database
(Z)2,(E)4,(E)6-Allofarnesene 6429217 Click to see CC=C(C)C=CC=C(C)CCC=C(C)C 204.35 unknown https://doi.org/10.1246/BCSJ.42.3615
1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene 519346 Click to see CC1=CC=C(C=C1)C2(CCCC2(C)C)C 202.33 unknown https://doi.org/10.1271/BBB1961.48.3141
https://doi.org/10.1271/BBB.57.792
1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)- 23204 Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C 204.35 unknown https://doi.org/10.1002/JCCS.196000004
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3R,6Z)- 12227246 Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 unknown via CMAUP database
2,6,6,9-Tetramethyl-cycloundeca-1,4,8-triene 6508206 Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C 204.35 unknown https://doi.org/10.1002/JCCS.196000004
2E,4E,6E-Allofarnesene 11637048 Click to see CC=C(C)C=CC=C(C)CCC=C(C)C 204.35 unknown https://doi.org/10.1246/BCSJ.42.3615
4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenol 519662 Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C 222.37 unknown via CMAUP database
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
alpha-Cadinol #1 6431302 Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C 222.37 unknown via CMAUP database
alpha-Curcumene 92139 Click to see CC1=CC=C(C=C1)C(C)CCC=C(C)C 202.33 unknown https://doi.org/10.1271/BBB.57.792
https://doi.org/10.1271/BBB1961.50.2915
Alpha-Farnesene 5281516 Click to see CC(=CCCC(=CCC=C(C)C=C)C)C 204.35 unknown https://doi.org/10.1271/BBB.57.792
https://doi.org/10.1021/JF00023A054
alpha-IONONE 5282108 Click to see CC1=CCCC(C1C=CC(=O)C)(C)C 192.30 unknown https://doi.org/10.1016/0031-9422(83)83016-7
beta Farnesene 15228937 Click to see CCC(=C)CCC=C(C)CCC=C(C)C 206.37 unknown https://doi.org/10.1271/BBB.57.792
beta-Bisabolene 10104370 Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C 204.35 unknown https://doi.org/10.1271/BBB.57.792
https://doi.org/10.1271/BBB1961.50.2915
beta-Bourbonene 62566 Click to see CC(C)C1CCC2(C1C3C2CCC3=C)C 204.35 unknown https://doi.org/10.1080/10412905.1995.9698555
beta-CARYOPHYLLENE OXIDE 1742210 Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C 220.35 unknown https://doi.org/10.1080/10412905.1995.9698555
beta-Farnesene 5281517 Click to see CC(=CCCC(=CCCC(=C)C=C)C)C 204.35 unknown https://doi.org/10.1021/JF00023A054
beta-Farnesene, (6Z)- 5317319 Click to see CC(=CCCC(=CCCC(=C)C=C)C)C 204.35 unknown via CMAUP database
beta-Ionone 638014 Click to see CC1=C(C(CCC1)(C)C)C=CC(=O)C 192.30 unknown via CMAUP database
Cadina-1(10),4-diene 10223 Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C 204.35 unknown https://doi.org/10.1080/10412905.1995.9698555
Caryophyllene 5281515 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown https://doi.org/10.1016/0031-9422(83)83016-7
https://doi.org/10.1021/JF00023A054
https://doi.org/10.1080/10412905.1995.9698555
Caryophyllene epoxide 14350 Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C 220.35 unknown https://doi.org/10.1080/10412905.1995.9698555
Caryophyllene oxide 2 13240188 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 https://doi.org/10.1016/0031-9422(83)83016-7
cis-Nerolidol 5320128 Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 unknown https://doi.org/10.1080/10412905.1995.9698555
cis,cis-Farnesol 1549107 Click to see CC(=CCCC(=CCCC(=CCO)C)C)C 222.37 unknown via CMAUP database
Copaene 19725 Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C 204.35 unknown https://doi.org/10.1080/10412905.1995.9698555
https://doi.org/10.1016/0031-9422(83)83016-7
Cuparene 86895 Click to see CC1=CC=C(C=C1)C2(CCCC2(C)C)C 202.33 unknown https://doi.org/10.1271/BBB1961.48.3141
https://doi.org/10.1271/BBB.57.792
Curlone 196216 Click to see CC(CC(=O)C=C(C)C)C1CCC(=C)C=C1 218.33 unknown via CMAUP database
delta-Cadinene 12306054 Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C 204.35 unknown via CMAUP database
Farnesol 3327 Click to see CC(=CCCC(=CCCC(=CCO)C)C)C 222.37 unknown https://doi.org/10.1271/BBB.57.792
gamma-Elemene 94254 Click to see CC(=C1CCC(C(C1)C(=C)C)(C)C=C)C 204.35 unknown via CMAUP database
Humulene 5281520 Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C 204.35 unknown https://doi.org/10.1080/10412905.1995.9698555
https://doi.org/10.1021/JF00023A054
Isocaryophyllene 5281522 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown via CMAUP database
Isocaryophyllene oxide 1742211 Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C 220.35 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
Neophytadiene 10446 Click to see CC(C)CCCC(C)CCCC(C)CCCC(=C)C=C 278.50 unknown via CMAUP database
Nerolidol 8888 Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 unknown via CMAUP database
tau-Muurolol 6432221 Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C 222.37 unknown via CMAUP database
Thujopsen 97829 Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C 204.35 unknown https://doi.org/10.1271/BBB1961.50.2915
https://doi.org/10.1271/BBB.57.792
Thujopsene 442402 Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C 204.35 unknown https://doi.org/10.1271/BBB1961.50.2915
https://doi.org/10.1271/BBB.57.792
trans-Nerolidol 5284507 Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
(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 https://doi.org/10.1021/JF00023A054
(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-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 https://doi.org/10.1021/JF00023A054
Ent-Spathulenol 13854255 Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 unknown via CMAUP database
Spathulenol 92231 Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids
Beta-Elemene 6918391 Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C 204.35 unknown https://doi.org/10.1080/10412905.1995.9698555
https://doi.org/10.1016/0031-9422(83)83016-7
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
Elemene 6431152 Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
(+)-germacrene D 24771782 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown via CMAUP database
(1E)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene 74764030 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown via CMAUP database
(1Z)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene 92003564 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown via CMAUP database
(6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene 49796490 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown via CMAUP database
(S,1Z,6Z)-8-Isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene 91723653 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown https://doi.org/10.1080/10412905.1995.9698555
1-Methyl-5-methylene-8-(1-methylethyl)-1,6-cyclodecadiene 6436582 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown via CMAUP database
1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-, [s-(E,E)]- 5373727 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown via CMAUP database
Germacrene D 5317570 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown https://doi.org/10.1080/10412905.1995.9698555
Germacrone 6436348 Click to see CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C 218.33 unknown via CMAUP database
Neocurdione 10466651 Click to see CC1CCC=C(CC(=O)C(CC1=O)C(C)C)C 236.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methoxy]oxane-3,4,5-triol 10086989 Click to see CC(=C)C1CCC(=CC1)COC2C(C(C(C(O2)CO)O)O)O 314.37 unknown via CMAUP database
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4S)-4-prop-1-en-2-ylcyclohexene-1-carboxylate 21631012 Click to see CC(=C)C1CCC(=CC1)C(=O)OC2C(C(C(C(O2)CO)O)O)O 328.36 unknown https://doi.org/10.1016/S0031-9422(00)90843-4
[(4R)-4-Isopropenyl-1-cyclohexenyl]methyl beta-D-glucopyranoside 102508931 Click to see CC(=C)C1CCC(=CC1)COC2C(C(C(C(O2)CO)O)O)O 314.37 unknown via CMAUP database
2-(Hydroxymethyl)-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-3,4,5-triol 73745655 Click to see CC(=C)C1CCC(=CC1)COC2C(C(C(C(O2)CO)O)O)O 314.37 unknown https://doi.org/10.1016/0031-9422(92)83490-P
Perilloside A 3086657 Click to see CC(=C)C1CCC(=CC1)COC2C(C(C(C(O2)CO)O)O)O 314.37 unknown https://doi.org/10.1016/0031-9422(92)83490-P
Perilloside B 73815069 Click to see CC(=C)C1CCC(=CC1)C(=O)OC2C(C(C(C(O2)CO)O)O)O 328.36 unknown https://doi.org/10.1016/S0031-9422(00)90843-4
Perilloside C 73815070 Click to see CC(=C)C1CCC(CC1)COC2C(C(C(C(O2)CO)O)O)O 316.39 unknown https://doi.org/10.1016/S0031-9422(00)90843-4
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Diterpene lactones
Dihydrohalichondramide 10259927 Click to see CC1CCC=CC2=NC(=CO2)C3=NC(=CO3)C4=NC(=CO4)C(C(C(=O)CCCC(CC(=O)OC1CC(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)O)C)OC 839.00 unknown https://doi.org/10.1016/S0031-9422(00)90843-4
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
Beta-Carotene 5280489 Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C 536.90 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol 6433159 Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C 568.90 unknown via CMAUP database
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol 25245095 Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C 568.90 unknown via CMAUP database
(1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol 448437 Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C 568.90 unknown via CMAUP database
4-[18-(4-Hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol 181579 Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C 568.90 unknown via CMAUP database
Beta, e-carotene-3, 3'-diol 102514741 Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C 568.90 unknown via CMAUP database
Lutein 5281243 Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C 568.90 unknown via CMAUP database
Luteine 5368396 Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C 568.90 unknown via CMAUP database
Violaxanthin 448438 Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C 600.90 unknown via CMAUP database
Zeaxanthin 5280899 Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C 568.90 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(10R)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 45358157 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O 456.70 unknown via CMAUP database
(1S,2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 45483617 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O 456.70 unknown via CMAUP database
(1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 15917996 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O 472.70 unknown https://doi.org/10.1271/BBB.68.85
(4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 45483610 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C 456.70 unknown via CMAUP database
2,3-Dihydroxyolean-12-en-28-oic acid 3694932 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C 472.70 unknown https://doi.org/10.1271/BBB.68.85
3-Epicorosolic acid 15917998 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O 472.70 unknown https://doi.org/10.1271/BBB.68.85
3-Epioleanolic acid 11869658 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C 456.70 unknown via CMAUP database
3-Hydroxyolean-12-en-28-oic acid 619166 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C 456.70 unknown https://doi.org/10.1271/BBB.68.85
Augustic acid 15560128 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C 472.70 unknown https://doi.org/10.1271/BBB.68.85
beta-Ursolic acid 220774 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O 456.70 unknown https://doi.org/10.1271/BBB.68.85
CID 3838010 3838010 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1(C)O)C)C(=O)O 472.70 unknown https://doi.org/10.1271/BBB.68.85
Corosolic acid 6918774 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O 472.70 unknown https://doi.org/10.1271/BBB.68.85
epi-Maslinic acid 25564831 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C 472.70 unknown https://doi.org/10.1271/BBB.68.85
Jacarandic acid 13653335 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O 488.70 unknown https://doi.org/10.1271/BBB.68.85
https://doi.org/10.1016/0031-9422(94)85096-8
Oleanolic Acid 10494 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C 456.70 unknown https://doi.org/10.1271/BBB.68.85
Pomolic acid 382831 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1(C)O)C)C(=O)O 472.70 unknown https://doi.org/10.1271/BBB.68.85
https://doi.org/10.1007/S11418-006-0015-9
Tormentic acid 73193 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O 488.70 unknown https://doi.org/10.1271/BBB.68.85
https://doi.org/10.1016/0031-9422(94)85096-8
Ursolic Acid 64945 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O 456.70 unknown https://doi.org/10.1271/BBB.68.85
https://doi.org/10.1039/C39850001087
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Tetrahydroxy bile acids, alcohols and derivatives
Castasterone 133534 Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O 464.70 unknown https://doi.org/10.1271/BBB.58.2241
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids
(1S,4R,5S,8S,10R,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-5-methyl-19-oxapentacyclo[11.4.2.01,14.04,13.05,10]nonadec-11-ene-4,8,10-triol 139586460 Click to see CC(C)C(C)C=CC(C)C1CCC2C13CCC4(C2(C=CC5(C4(CCC(C5)O)C)O)OC3)O 444.60 unknown https://doi.org/10.1271/BBB1961.54.1745
https://doi.org/10.1271/BBB1961.53.1971
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
22,23-Dihydrobrassicasterol 5283637 Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C 400.70 unknown via CMAUP database
5-Cholestene-3-ol, 24-methyl- 312822 Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C 400.70 unknown https://doi.org/10.1248/CPB.34.1672
Campesterol 173183 Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C 400.70 unknown https://doi.org/10.1248/CPB.34.1672
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Estrane steroids / Estrogens and derivatives
Estrone 5870 Click to see CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O 270.40 unknown https://doi.org/10.1016/S0044-328X(72)80100-4
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Pregnane steroids / Gluco/mineralocorticoids, progestogins and derivatives
Progesterone 5994 Click to see CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C 314.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid acids / 3-carboxy steroids
11-hydroxy-1-(hydroxymethyl)-3,3,5a,5b,10,11,13b-heptamethyl-4,5,6,7,8,9,10,11a,13,13a-decahydro-3aH-cyclopenta[a]chrysene-7a-carboxylic acid 14605532 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(C(=CC5(C)C)CO)C)C)C2C1(C)O)C)C(=O)O 470.70 unknown https://doi.org/10.1271/BBB.68.85
Hyptadienic acid 14605533 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(C(=CC5(C)C)CO)C)C)C2C1(C)O)C)C(=O)O 470.70 unknown https://doi.org/10.1007/S11418-006-0015-9
https://doi.org/10.1271/BBB.68.85
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 122544 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 412.70 unknown https://doi.org/10.1248/CPB.34.1672
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 86821 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 414.70 unknown https://doi.org/10.1248/CPB.34.1672
Beta-Sitosterol 222284 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 414.70 unknown https://doi.org/10.1248/CPB.34.1672
beta-Sitosterol 3-O-beta-D-galactopyranoside 296119 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C 576.80 unknown https://doi.org/10.1016/S0031-9422(00)90843-4
Sitogluside 5742590 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C 576.80 unknown https://doi.org/10.1016/S0031-9422(00)90843-4
Stigmasterol 5280794 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 412.70 unknown https://doi.org/10.1248/CPB.34.1672
> Organic acids and derivatives / Carbothioic S-acids
Pentadecanethioic acid 18413781 Click to see CCCCCCCCCCCCCCC(=O)S 258.50 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
Octopinic acid 13748388 Click to see CC(C(=O)O)NC(CCCN)C(=O)O 204.22 unknown via CMAUP database
> Organic acids and derivatives / Hydroxy acids and derivatives / Medium-chain hydroxy acids and derivatives
(r)-3-Hydroxy-5-phenylvaleric acid 9815528 Click to see C1=CC=C(C=C1)CCC(CC(=O)O)O 194.23 unknown via CMAUP database
> Organic oxygen compounds / Organic oxides
beta-Cyclocitral 9895 Click to see CC1=C(C(CCC1)(C)C)C=O 152.23 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
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
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols
2-Penten-1-OL 5364920 Click to see CCC=CCO 86.13 unknown via CMAUP database
cis-2-Penten-1-ol 5364919 Click to see CCC=CCO 86.13 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
(3R)-hept-1-en-3-ol 7269382 Click to see CCCCC(C=C)O 114.19 unknown via CMAUP database
(R)-1-Pentene-3-ol 6994331 Click to see CCC(C=C)O 86.13 unknown via CMAUP database
1-Penten-3-OL 12020 Click to see CCC(C=C)O 86.13 unknown via CMAUP database
2-Hexanol 12297 Click to see CCCCC(C)O 102.17 unknown https://doi.org/10.1021/JF00023A054
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Cyanogenic glycosides
(2R)-2-phenyl-2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile 92450246 Click to see C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)O 295.29 unknown via CMAUP database
(2R)-2-phenyl-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile 154497290 Click to see C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)O 295.29 unknown https://doi.org/10.1016/S0031-9422(00)83060-5
(S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside 576072 Click to see C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)O 295.29 unknown https://doi.org/10.1016/S0031-9422(00)83060-5
https://doi.org/10.1016/0031-9422(94)85096-8
https://doi.org/10.1271/BBB.60.732
Eucalyptosin A 123133484 Click to see C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O 457.40 unknown https://doi.org/10.1016/S0031-9422(00)83060-5
Mandelonitrile sophoroside 14298910 Click to see C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O 457.40 unknown https://doi.org/10.1016/S0031-9422(00)83060-5
Prunasin 119033 Click to see C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)O 295.29 unknown https://doi.org/10.1016/S0031-9422(00)83060-5
https://doi.org/10.1016/0031-9422(94)85096-8
Sambunigrin 91434 Click to see C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)O 295.29 unknown https://doi.org/10.1016/S0031-9422(00)83060-5
https://doi.org/10.1016/0031-9422(94)85096-8
https://doi.org/10.1271/BBB.60.732
Vicianin 656493 Click to see C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C#N)C3=CC=CC=C3)O)O)O)O)O)O 427.40 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol 4984739 Click to see C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O 270.28 unknown https://doi.org/10.1016/0031-9422(94)85096-8
alpha-D-Glucopyranoside, beta-D-fructofuranosyl 91692850 Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O 342.30 unknown via CMAUP database
Benzyl alpha-D-mannopyranoside 10956572 Click to see C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O 270.28 unknown via CMAUP database
Benzyl beta-d-glucopyranoside 188977 Click to see C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O 270.28 unknown https://doi.org/10.1016/0031-9422(94)85096-8
beta-D-Glucopyranoside, methyl 2108 Click to see COC1C(C(C(C(O1)CO)O)O)O 194.18 unknown https://doi.org/10.1271/BBB.60.732
Methyl alpha-D-galactopyranoside 76935 Click to see COC1C(C(C(C(O1)CO)O)O)O 194.18 unknown https://doi.org/10.1271/BBB.60.732
Sucrose 5988 Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O 342.30 unknown via CMAUP database
Sucrose NF 46782954 Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O 342.30 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(5-methoxy-6-prop-2-enyl-1,3-benzodioxol-4-yl)oxane-3,4,5-triol 5319623 Click to see COC1=C(C2=C(C=C1CC=C)OCO2)C3C(C(C(C(O3)CO)O)O)O 354.40 unknown via CMAUP database
2-(Hydroxymethyl)-6-(2-methoxy-5-prop-2-enylphenoxy)oxane-3,4,5-triol 73803891 Click to see COC1=C(C=C(C=C1)CC=C)OC2C(C(C(C(O2)CO)O)O)O 326.34 unknown https://doi.org/10.1016/0031-9422(94)85096-8
2-(Hydroxymethyl)-6-[(5-methoxy-6-prop-2-enyl-1,3-benzodioxol-4-yl)oxy]oxane-3,4,5-triol 75306307 Click to see COC1=C(C2=C(C=C1CC=C)OCO2)OC3C(C(C(C(O3)CO)O)O)O 370.40 unknown https://doi.org/10.1016/0031-9422(94)85096-8
3-(2-Glucosyloxy-4-methoxyphenyl)propanoic acid 11100427 Click to see COC1=CC(=C(C=C1)CCC(=O)O)OC2C(C(C(C(O2)CO)O)O)O 358.34 unknown https://doi.org/10.1271/BBB.60.1093
3-Hydroxyestragole beta-D-glucopyranoside 21579141 Click to see COC1=C(C=C(C=C1)CC=C)OC2C(C(C(C(O2)CO)O)O)O 326.34 unknown https://doi.org/10.1016/0031-9422(94)85096-8
3-Hydroxytyrosol 3-O-glucoside 5315870 Click to see C1=CC(=C(C=C1CCO)OC2C(C(C(C(O2)CO)O)O)O)O 316.30 unknown via CMAUP database
Caffeic Acid 3-beta-D-Glucoside 442776 Click to see C1=CC(=C(C=C1C=CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O)O 342.30 unknown via CMAUP database
Citrusin C 9945189 Click to see COC1=C(C=CC(=C1)CC=C)OC2C(C(C(C(O2)CO)O)O)O 326.34 unknown https://doi.org/10.1016/0031-9422(92)83490-P
Eugenyl glucoside 3084296 Click to see COC1=C(C=CC(=C1)CC=C)OC2C(C(C(C(O2)CO)O)O)O 326.34 unknown https://doi.org/10.1016/0031-9422(92)83490-P
Perilloside E 49855080 Click to see COC1=C(C2=C(C=C1CC=C)OCO2)OC3C(C(C(C(O3)CO)O)O)O 370.40 unknown https://doi.org/10.1016/0031-9422(94)85096-8
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes
(Z)-3-pentenal 12585767 Click to see CC=CCC=O 84.12 unknown via CMAUP database
3-Pentenal 111089 Click to see CC=CCC=O 84.12 unknown via CMAUP database
Pent-3-enal 5463339 Click to see CC=CCC=O 84.12 unknown via CMAUP database
Propionaldehyde 527 Click to see CCC=O 58.08 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
(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-Hexenal 5281168 Click to see CCCC=CC=O 98.14 unknown via CMAUP database
2,4-Heptadienal 5283321 Click to see CCC=CC=CC=O 110.15 unknown via CMAUP database
2,4-Hexadienal 637564 Click to see CC=CC=CC=O 96.13 unknown via CMAUP database
3-Hexenal 643139 Click to see CCC=CCC=O 98.14 unknown via CMAUP database
cis-3-Hexenal 643941 Click to see CCC=CCC=O 98.14 unknown via CMAUP database
Hex-3-enal 23234 Click to see CCC=CCC=O 98.14 unknown https://doi.org/10.1016/0031-9422(83)83016-7
Hexanal 6184 Click to see CCCCCC=O 100.16 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones
1-Octen-3-one 61346 Click to see CCCCCC(=O)C=C 126.20 unknown via CMAUP database
Ethyl vinyl ketone 15394 Click to see CCC(=O)C=C 84.12 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aryl ketones
1-(Furan-3-yl)-4-methylpent-2-en-1-one 169595 Click to see CC(C)C=CC(=O)C1=COC=C1 164.20 unknown https://doi.org/10.1248/YAKUSHI1947.84.11_1123
3-Methyl-1-(3-methylfuran-2-yl)but-2-en-1-one 564412 Click to see CC1=C(OC=C1)C(=O)C=C(C)C 164.20 unknown https://doi.org/10.1016/0031-9422(86)80017-6
Isoegomaketone 5318556 Click to see CC(C)C=CC(=O)C1=COC=C1 164.20 unknown https://doi.org/10.1016/0031-9422(86)80017-6
https://doi.org/10.1016/0031-9422(83)83016-7
https://doi.org/10.1055/S-2006-961996
https://doi.org/10.1248/YAKUSHI1947.84.11_1123
https://doi.org/10.1016/S0031-9422(00)84531-8
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aryl ketones / Aryl alkyl ketones
1-(3-Methylfuran-2-yl)ethan-1-one 12281224 Click to see CC1=C(OC=C1)C(=O)C 124.14 unknown via CMAUP database
2-Hexanoylfuran 61738 Click to see CCCCCC(=O)C1=CC=CO1 166.22 unknown via CMAUP database
3-Methyl-1-(3-methylfuran-2-yl)butan-1-one 521240 Click to see CC1=C(OC=C1)C(=O)CC(C)C 166.22 unknown https://doi.org/10.1016/0031-9422(86)80017-6
Egomaketone 42978 Click to see CC(=CCC(=O)C1=COC=C1)C 164.20 unknown via CMAUP database
Perilla ketone 68381 Click to see CC(C)CCC(=O)C1=COC=C1 166.22 unknown https://doi.org/10.1246/NIKKASHI1921.64.1130
https://doi.org/10.1055/S-2007-969568
https://doi.org/10.1248/JHS1956.36.320
https://doi.org/10.1016/J.BMC.2008.12.057
https://doi.org/10.1055/S-2006-961996
https://doi.org/10.1248/YAKUSHI1947.84.11_1123
https://doi.org/10.1016/0031-9422(86)80017-6
https://doi.org/10.1016/0031-9422(83)83016-7
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes
Protocatechualdehyde 8768 Click to see C1=CC(=C(C=C1C=O)O)O 138.12 unknown https://doi.org/10.1271/BBB.60.732
https://doi.org/10.1271/BBB.60.1093
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
3-Octanone 246728 Click to see CCCCCC(=O)CC 128.21 unknown https://doi.org/10.1080/10412905.1995.9698555
3-Pentanone 7288 Click to see CCC(=O)CC 86.13 unknown via CMAUP database
> Organoheterocyclic compounds / Benzodioxoles
Apiole 10659 Click to see COC1=C2C(=C(C(=C1)CC=C)OC)OCO2 222.24 unknown via CMAUP database
Dillapiol 10231 Click to see COC1=C(C2=C(C=C1CC=C)OCO2)OC 222.24 unknown https://doi.org/10.1016/0031-9422(86)80070-X
https://doi.org/10.1016/0031-9422(86)80017-6
https://doi.org/10.1248/CPB.36.3153
Myristicin 4276 Click to see COC1=CC(=CC2=C1OCO2)CC=C 192.21 unknown https://doi.org/10.1016/0031-9422(86)80017-6
https://doi.org/10.1016/0031-9422(83)83016-7
https://doi.org/10.1016/0031-9422(86)80070-X
https://doi.org/10.1248/CPB.36.3153
Nothoapiole 185518 Click to see COC1=C(C(=C(C2=C1OCO2)OC)OC)CC=C 252.26 unknown via CMAUP database
> Organoheterocyclic compounds / Benzoxepines
2-(5-Methoxy-2,3-dihydrofuro[3,2-i][3]benzoxepin-2-yl)propan-2-ol 21603445 Click to see CC(C)(C1CC2=CC(=C3C=COC=CC3=C2O1)OC)O 274.31 unknown https://doi.org/10.1021/NP990362O
5-Methoxyfuro[2,3-g][3]benzoxepin 10084612 Click to see CC(C)(C1=CC2=CC(=C3C=COC=CC3=C2O1)OC)O 272.29 unknown https://doi.org/10.1021/NP990362O
Perilloxin 10468570 Click to see CC(C)(C1CC2=CC(=C3C=COC=CC3=C2O1)OC)O 274.31 unknown https://doi.org/10.1021/NP990362O
> Organoheterocyclic compounds / Diazines / Pyrazines
2-(Bromomethyl)pyrazine 12752238 Click to see C1=CN=C(C=N1)CBr 173.01 unknown via CMAUP database
2-Butyl-3-methylpyrazine 85228 Click to see CCCCC1=NC=CN=C1C 150.22 unknown https://doi.org/10.1021/JF402487A
2-Ethyl-3-methylpyrazine 27457 Click to see CCC1=NC=CN=C1C 122.17 unknown https://doi.org/10.1021/JF402487A
2-Ethyl-3,5-dimethylpyrazine 26334 Click to see CCC1=NC=C(N=C1C)C 136.19 unknown via CMAUP database
2-Ethyl-5-methylpyrazine 25915 Click to see CCC1=NC=C(N=C1)C 122.17 unknown via CMAUP database
2-Ethyl-6-methylpyrazine 26332 Click to see CCC1=NC(=CN=C1)C 122.17 unknown via CMAUP database
2-Ethylpyrazine 26331 Click to see CCC1=NC=CN=C1 108.14 unknown https://doi.org/10.1021/JF402487A
2-Isobutyl-3-methylpyrazine 26333 Click to see CC1=NC=CN=C1CC(C)C 150.22 unknown https://doi.org/10.1021/JF402487A
2-Methyl-3-propylpyrazine 85224 Click to see CCCC1=NC=CN=C1C 136.19 unknown https://doi.org/10.1021/JF402487A
2-Methylpyrazine 7976 Click to see CC1=NC=CN=C1 94.11 unknown via CMAUP database
2,3-Diethylpyrazine 27458 Click to see CCC1=NC=CN=C1CC 136.19 unknown via CMAUP database
2,3-Dimethylpyrazine 22201 Click to see CC1=NC=CN=C1C 108.14 unknown via CMAUP database
2,3,5-Trimethylpyrazine 26808 Click to see CC1=CN=C(C(=N1)C)C 122.17 unknown via CMAUP database
2,3,5,6-Tetramethylpyrazine 14296 Click to see CC1=C(N=C(C(=N1)C)C)C 136.19 unknown via CMAUP database
2,5-Dimethylpyrazine 31252 Click to see CC1=CN=C(C=N1)C 108.14 unknown via CMAUP database
2,6-Dimethylpyrazine 7938 Click to see CC1=CN=CC(=N1)C 108.14 unknown via CMAUP database
3-Ethyl-2,5-dimethylpyrazine 25916 Click to see CCC1=NC(=CN=C1C)C 136.19 unknown via CMAUP database
Pyrazine 9261 Click to see C1=CN=CC=N1 80.09 unknown via CMAUP database
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Thiamines
3-(4-Amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazol-3-ium 1130 Click to see CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO 265.36 unknown via CMAUP database
> Organoheterocyclic compounds / Epoxides
1,5,5,8-Tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene 23274265 Click to see CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C 220.35 unknown via CMAUP database
CID 12900740 12900740 Click to see CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C 220.35 unknown via CMAUP database
CID 92476330 92476330 Click to see CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C 220.35 unknown via CMAUP database
Humulene epoxide II 10704181 Click to see CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C 220.35 unknown via CMAUP database
Humulene epoxyde 5463721 Click to see CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C 220.35 unknown via CMAUP database
> Organoheterocyclic compounds / Heteroaromatic compounds
Perillene 68316 Click to see CC(=CCCC1=COC=C1)C 150.22 unknown https://doi.org/10.1016/0031-9422(90)87094-B
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives
(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate 6923516 Click to see C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])[NH3+] 204.22 unknown via CMAUP database
D-Tryptophan 9060 Click to see C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N 204.22 unknown via CMAUP database
> Organoheterocyclic compounds / Oxanes
Eucalyptol 2758 Click to see CC1(C2CCC(O1)(CC2)C)C 154.25 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
(+)-trans-Limonene oxide 449290 Click to see CC(=C)C1CCC2(C(C1)O2)C 152.23 unknown via CMAUP database
Limonene oxide, cis- 6432449 Click to see CC(=C)C1CCC2(C(C1)O2)C 152.23 unknown via CMAUP database
Limonene oxide, cis-(-)- 6452061 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 https://doi.org/10.1021/JF00023A054
> Organoheterocyclic compounds / Oxolanes
2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, (2R,5R)-rel- 6431475 Click to see CC1(CCC(O1)C(C)(C)O)C=C 170.25 unknown via CMAUP database
> Organoheterocyclic compounds / Tetrahydrofurans
trans-Linalool oxide 6432254 Click to see CC1(CCC(O1)C(C)(C)O)C=C 170.25 unknown via CMAUP database
> Organoheterocyclic compounds / Tetrapyrroles and derivatives / Chlorins
Chlorophyll a from Chlorella 16058064 Click to see CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C.[Mg+2] 893.50 unknown via CMAUP database
CID 24201364 24201364 Click to see CCC1=C2C=C3C(=C4C(=O)C(C(=C5C(C(C(=CC6=[NH+]C(=CC(=C1C=O)[N-]2)C(=C6C)C=C)[N-]5)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C4=[NH+]3)C(=O)OC)C.[Mg+2] 909.50 unknown via CMAUP database
CID 46926108 46926108 Click to see CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C=O.[Mg+2] 907.50 unknown via CMAUP database
Deodophyll 5748352 Click to see CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C.[Mg+2] 893.50 unknown via CMAUP database
Magnesio, [(2E, 7R, 11R)-3,7,11,15-tetrametil-2-hexadecenil (3S, 4S, 21R)-9-etinil-14-etil-21-(metoxicarbonil)-4,8, 13,18-tetrametil-20-oxo-3-forbinopropanoato (2-)-kN23, kN24, kN25, kN26]-, (SP-4-2)- 122361620 Click to see CCC1=C(C2=[NH+]C1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=[NH+]5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C.[Mg+2] 895.50 unknown via CMAUP database
Magnesium, ((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-kappaN23,kappaN24,kappaN25,kappaN26)-, (SP-4-2)- 6477652 Click to see CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C.[Mg+2] 893.50 unknown via CMAUP database
magnesium;methyl (21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate 46173742 Click to see CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C=O.[Mg+2] 907.50 unknown via CMAUP database
magnesium;methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7S,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate 42622157 Click to see CCC1=C(C2=[NH+]C1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=[NH+]5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C=O.[Mg+2] 909.50 unknown via CMAUP database
magnesium;methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate 44602414 Click to see CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C.[Mg+2] 893.50 unknown via CMAUP database
magnesium;methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7S,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate 42618488 Click to see CCC1=C(C2=[NH+]C1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=[NH+]5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C.[Mg+2] 895.50 unknown via CMAUP database
magnesium;methyl 16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaene-3-carboxylate 23644077 Click to see CCC1=C(C2=[NH+]C1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=[NH+]5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C=O.[Mg+2] 909.50 unknown via CMAUP database
magnesium;methyl 16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(Z)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate 23304731 Click to see CCC1=C(C2=[NH+]C1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=[NH+]5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C.[Mg+2] 895.50 unknown via CMAUP database
> Organoheterocyclic compounds / Tetrapyrroles and derivatives / Metallotetrapyrroles
magnesium;(21S,22S)-16-ethenyl-11-ethyl-12-formyl-3-methoxycarbonyl-17,21,26-trimethyl-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-olate 44134476 Click to see CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C=O.[Mg+2] 907.50 unknown via CMAUP database
magnesium;(3R,21S,22S)-16-ethenyl-11-ethyl-12-formyl-3-methoxycarbonyl-17,21,26-trimethyl-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-olate 6477653 Click to see CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C=O.[Mg+2] 907.50 unknown via CMAUP database
Magnesium;[(3R,21S,22S)-16-ethenyl-11-ethyl-3-methoxycarbonyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10,13(25),14,16,18(24),19-decaen-12-ylidene]methanolate 6450186 Click to see CCC1=C2C=C3C(=C4C(=O)C(C(=C4[N-]3)C5=NC(=CC6=NC(=CC(=N2)C1=C[O-])C(=C6C)C=C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)C.[Mg+2] 907.50 unknown via CMAUP database
magnesium;16-ethenyl-11-ethyl-12-formyl-3-methoxycarbonyl-17,21,26-trimethyl-22-[3-oxo-3-[(Z)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-olate 45109779 Click to see CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C=O.[Mg+2] 907.50 unknown via CMAUP database
magnesium;16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-22-[3-oxo-3-[(Z)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-olate 45109766 Click to see CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C.[Mg+2] 893.50 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives
1-Octen-3-one, (E)- 5995948 Click to see CCCCC(C)C(=O)C=CC1=CC=CC=C1 216.32 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
(3R)-3-(3,4-dihydroxyphenyl)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid 163185213 Click to see C1=CC(=C(C=C1C=CC(=O)OC(CC(=O)O)C2=CC(=C(C=C2)O)O)O)O 360.30 unknown https://doi.org/10.1271/BBB.60.732
(4-Prop-1-en-2-ylcyclohexyl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate 70152895 Click to see CC(=C)C1CCC(CC1)COC(=O)C=CC2=CC(=C(C=C2)O)O 316.40 unknown https://doi.org/10.1271/BBB.60.1093
(S)-3-(3,4-Dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl (E)-3-(3,4-dihydroxyphenyl)acrylate 10970786 Click to see COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O 374.30 unknown https://doi.org/10.1021/JF970520M
(S)-rosmarinic acid 639655 Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 360.30 unknown https://doi.org/10.1021/JF970520M
https://doi.org/10.1016/S0031-9422(00)83060-5
https://doi.org/10.1248/BPB.25.1197
https://doi.org/10.1271/BBB.60.1093
https://doi.org/10.1021/JF980557M
https://doi.org/10.1055/S-2006-957510
https://doi.org/10.1055/S-2001-10878
[(Z)-2-(3,5-dihydroxyphenyl)ethenyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 5316820 Click to see C1=CC(=C(C=C1C=CC(=O)OC=CC2=CC(=CC(=C2)O)O)O)O 314.29 unknown https://doi.org/10.1248/CPB.38.1772
2-(3,4-Dihydroxyphenyl)ethenyl 3-(3,4-dihydroxyphenyl)prop-2-enoate 78384837 Click to see C1=CC(=C(C=C1C=CC(=O)OC=CC2=CC(=C(C=C2)O)O)O)O 314.29 unknown https://doi.org/10.1248/CPB.38.1772
2-(3,5-Dihydroxyphenyl)ethenyl 3-(3,4-dihydroxyphenyl)prop-2-enoate 78384838 Click to see C1=CC(=C(C=C1C=CC(=O)OC=CC2=CC(=CC(=C2)O)O)O)O 314.29 unknown https://doi.org/10.1248/CPB.38.1772
3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid 5099 Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 360.30 unknown https://doi.org/10.1271/BBB.60.1093
https://doi.org/10.1055/S-2001-10878
https://doi.org/10.1016/S0031-9422(00)83060-5
https://doi.org/10.1248/BPB.25.1197
https://doi.org/10.1021/JF980557M
https://doi.org/10.1021/JF970520M
https://doi.org/10.1055/S-2006-957510
3-(3,4-Dihydroxyphenyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid 77583661 Click to see C1=CC(=C(C=C1C=CC(=O)OC(CC(=O)O)C2=CC(=C(C=C2)O)O)O)O 360.30 unknown https://doi.org/10.1271/BBB.60.732
Caffeic acid methyl ester 689075 Click to see COC(=O)C=CC1=CC(=C(C=C1)O)O 194.18 unknown https://doi.org/10.1271/BBB.60.732
https://doi.org/10.1271/BBB.60.1093
https://doi.org/10.1055/S-2006-957510
Ethenyl 3-(3,4-dihydroxyphenyl)prop-2-enoate 71435608 Click to see C=COC(=O)C=CC1=CC(=C(C=C1)O)O 206.19 unknown https://doi.org/10.1271/BBB.60.1093
ethyl (3R)-3-(3,4-dihydroxyphenyl)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoate 163188013 Click to see CCOC(=O)CC(C1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O 388.40 unknown https://doi.org/10.1271/BBB.60.732
Ethyl 3-(3,4-dihydroxyphenyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoate 162890361 Click to see CCOC(=O)CC(C1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O 388.40 unknown https://doi.org/10.1271/BBB.60.732
methyl (3R)-3-(3,4-dihydroxyphenyl)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoate 163185604 Click to see COC(=O)CC(C1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O 374.30 unknown https://doi.org/10.1271/BBB.60.732
Methyl 3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoate 76511959 Click to see COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O 374.30 unknown https://doi.org/10.1021/JF970520M
Methyl 3-(3,4-dihydroxyphenyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoate 73809375 Click to see COC(=O)CC(C1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O 374.30 unknown https://doi.org/10.1271/BBB.60.732
Methyl 3,4-dihydroxycinnamate 92202 Click to see COC(=O)C=CC1=CC(=C(C=C1)O)O 194.18 unknown https://doi.org/10.1271/BBB.60.732
https://doi.org/10.1271/BBB.60.1093
https://doi.org/10.1055/S-2006-957510
Methyl cis-ferulate 10176654 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC)O 208.21 unknown via CMAUP database
Nepetoidin B 5316819 Click to see C1=CC(=C(C=C1C=CC(=O)OC=CC2=CC(=C(C=C2)O)O)O)O 314.29 unknown https://doi.org/10.1248/CPB.38.1772
Rosmarinate 5315615 Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 360.30 unknown via CMAUP database
Rosmarinic acid 5281792 Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 360.30 unknown https://doi.org/10.1055/S-2001-10878
https://doi.org/10.1016/S0031-9422(00)83060-5
https://doi.org/10.1248/BPB.25.1197
https://doi.org/10.1271/BBB1961.53.1971
https://doi.org/10.1021/JF970520M
https://doi.org/10.1002/PTR.1115
https://doi.org/10.1055/S-2006-957510
https://doi.org/10.1248/BPB.31.1376
Rosmarinic Acid Methyl Ester 3012090 Click to see COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O 374.30 unknown https://doi.org/10.1021/JF970520M
Vinyl caffeate 11127419 Click to see C=COC(=O)C=CC1=CC(=C(C=C1)O)O 206.19 unknown https://doi.org/10.1271/BBB.60.1093
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid 2518 Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O 180.16 unknown https://doi.org/10.1055/S-2001-10878
https://doi.org/10.1016/S0031-9422(00)83060-5
https://doi.org/10.1271/BBB.60.1093
https://doi.org/10.1055/S-2006-957510
https://doi.org/10.1248/BPB.25.1197
https://doi.org/10.1271/BBB.60.732
Caffeic Acid 689043 Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O 180.16 unknown https://doi.org/10.1271/BBB.60.1093
https://doi.org/10.1055/S-2001-10878
https://doi.org/10.1055/S-2006-957510
https://doi.org/10.1016/S0031-9422(00)83060-5
https://doi.org/10.1248/BPB.25.1197
https://doi.org/10.1007/BF02491096
https://doi.org/10.1271/BBB.60.732
cis-Caffeic acid 1549111 Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O 180.16 unknown via CMAUP database
cis-Sinapic acid 1549091 Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O 224.21 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
Sinapinic acid 637775 Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O 224.21 unknown via CMAUP database
> 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 https://doi.org/10.1271/BBB.60.1093
> Phenylpropanoids and polyketides / Coumarins and derivatives / Pyranocoumarins / Linear pyranocoumarins
Graveolone 177751 Click to see CC1(CC(=O)C2=C(O1)C=C3C(=C2)C=CC(=O)O3)C 244.24 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
(+)-Epicatechin 182232 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 unknown via CMAUP database
2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol 1203 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
(2R)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one 162988960 Click to see C1C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC=C(C=C3)O 288.25 unknown https://doi.org/10.1016/S0031-9422(00)83060-5
5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one 9879022 Click to see C1C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC=C(C=C3)O 288.25 unknown https://doi.org/10.1016/S0031-9422(00)83060-5
> Phenylpropanoids and polyketides / Flavonoids / Flavones
6,7,3',4'-Tetrahydroxyflavone 24721539 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=CC(=C(C=C3O2)O)O)O)O 286.24 unknown https://doi.org/10.1271/BBB.60.1093
Apigenin 5280443 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O 270.24 unknown https://doi.org/10.1080/00021369.1981.10864793
https://doi.org/10.1016/S0963-9969(01)00083-7
Luteolin 5280445 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O 286.24 unknown https://doi.org/10.1021/JF970520M
https://doi.org/10.1080/00021369.1981.10864793
https://doi.org/10.1248/BPB.25.1197
https://doi.org/10.1016/S0963-9969(01)00083-7
Scutellarein 5281697 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O)O 286.24 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanidin 3-O-p-coumaroyl glycosides / Anthocyanidin 3-O-6-p-coumaroyl glycosides
3-[[(3S,4S,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[(2S,5S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid 57090016 Click to see C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O 843.70 unknown via CMAUP database
Malonyl-cis-shisonin 101586992 Click to see C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O 843.70 unknown via CMAUP database
Malonylshisonin 11972402 Click to see C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O 843.70 unknown https://doi.org/10.1271/BBB1961.54.1745
https://doi.org/10.1271/BBB1961.53.1971
Shisonin 5282068 Click to see C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O 757.70 unknown https://doi.org/10.1271/BBB1961.54.1745
https://doi.org/10.1271/BBB1961.53.1971
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-5-O-glycosides
Cyanin 441688 Click to see C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O 611.50 unknown https://doi.org/10.1271/BBB1961.54.1745
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
Vicenin 2 442664 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O 594.50 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-7-O-glucuronides
Breviscapine 6426802 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O 462.40 unknown https://doi.org/10.1055/S-2001-10878
Clerodendrin 5488004 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O 622.50 unknown https://doi.org/10.1055/S-2001-10878
Flavone base + 3O, O-HexA-HexA 74977517 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O 622.50 unknown https://doi.org/10.1055/S-2001-10878
Flavone base + 4O, O-HexA-HexA 74413803 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O)O 638.50 unknown https://doi.org/10.1248/BPB.25.1197
https://doi.org/10.1055/S-2001-10878
Luteolin 7-glucuronide 5280601 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O 462.40 unknown https://doi.org/10.1248/BPB.25.1197
luteolin-7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] 5282153 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O)O 638.50 unknown https://doi.org/10.1248/BPB.25.1197
https://doi.org/10.1007/S10600-006-0049-Y
https://doi.org/10.1055/S-2001-10878
Luteolin-7-O-beta-D-glucuronic acid 6''-methyl ester 91129494 Click to see COC(=O)C1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)O)O)O 476.40 unknown https://doi.org/10.1055/S-2006-957510
Luteolin-7-o-glucuronide 13607752 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O 462.40 unknown https://doi.org/10.1248/BPB.25.1197
Methyl 6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate 74977642 Click to see COC(=O)C1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)O)O)O 476.40 unknown https://doi.org/10.1055/S-2006-957510
Scutellarin 185617 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O 462.40 unknown https://doi.org/10.1016/S0031-9422(00)83060-5
https://doi.org/10.1055/S-2001-10878
https://doi.org/10.1248/BPB.24.1206
Scutellarin-7-diglucosidic acid 102158504 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O)O 638.50 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
Luteolin-5-O-b-D-glucopyranoside 15559460 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)O)O 448.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
(2S)-7-[[(2S,3R,3aS,6R,6aR)-3-[[(2S,3R,3aR,6R,6aR)-3,6-dihydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]oxy]-6-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one 163015735 Click to see C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C4C(O3)C(C(=O)O4)O)OC5C(C6C(O5)C(C(=O)O6)O)O)C7=CC(=C(C=C7)O)O 604.50 unknown https://doi.org/10.1016/S0031-9422(00)83060-5
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 21579296 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)COC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O)O)O 594.50 unknown https://doi.org/10.1080/00021369.1981.10864793
[3,4,5-Trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate 73804009 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)COC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O)O)O 594.50 unknown https://doi.org/10.1080/00021369.1981.10864793
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 44257792 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O 432.40 unknown via CMAUP database
7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one 14054265 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O 610.50 unknown https://doi.org/10.1080/00021369.1981.10864793
7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one 60195926 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O 594.50 unknown https://doi.org/10.1080/00021369.1981.10864793
7-[[3-[(3,6-dihydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl)oxy]-6-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one 163015734 Click to see C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C4C(O3)C(C(=O)O4)O)OC5C(C6C(O5)C(C(=O)O6)O)O)C7=CC(=C(C=C7)O)O 604.50 unknown https://doi.org/10.1016/S0031-9422(00)83060-5
7-[3,4-Dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one 14054263 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O 610.50 unknown https://doi.org/10.1080/00021369.1981.10864793
Apigenin 7-[galactosyl-(1->4)-mannoside] 73840313 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O 594.50 unknown https://doi.org/10.1080/00021369.1981.10864793
Apigenin 7-O-glucoside 5385553 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O 432.40 unknown https://doi.org/10.1080/00021369.1981.10864793
Apigenin-7-O-glucoside 12304093 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O 432.40 unknown via CMAUP database
Apigetrin 5280704 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O 432.40 unknown https://doi.org/10.1080/00021369.1981.10864793
https://doi.org/10.1002/PCA.2521
Luteolin 7-galactoside 5291488 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O 448.40 unknown https://doi.org/10.1080/00021369.1981.10864793
Luteolin 7-O-glucoside 5280637 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O 448.40 unknown https://doi.org/10.1080/00021369.1981.10864793
https://doi.org/10.1002/PCA.2521
> Phenylpropanoids and polyketides / Flavonoids / Hydroxyflavonoids / 7-hydroxyflavonoids
Cyanidin 128861 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O 287.24 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
Chryseriol 5280666 Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O 300.26 unknown https://doi.org/10.1021/JF970520M
https://doi.org/10.1002/PCA.2521
https://doi.org/10.1016/S0963-9969(01)00083-7
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
Orobol 5281801 Click to see C1=CC(=C(C=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O)O 286.24 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavonoid O-glycosides
5-hydroxy-3-[4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 99653118 Click to see C1=CC(=C(C=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O 610.50 unknown via CMAUP database
> Phenylpropanoids and polyketides / Stilbenes / Stilbene glycosides
2-[2,4-Dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol 76537225 Click to see C1=CC(=CC=C1C=CC2=C(C(=CC(=C2)O)O)C3C(C(C(C(O3)CO)O)O)O)O 390.40 unknown https://doi.org/10.1016/S0031-9422(00)90843-4

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