WLN: 6OV1 (BioDeep_00000868194)

Volatile Flavor Compounds

代谢物信息卡片

4-02-00-00159 (Beilstein Handbook Reference)

化学式: C8H16O2 (144.1150236)
中文名称: 醋酸己酯, 乙酸己酯, 乙酸正己酯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCCCCCOC(=O)C
InChI: InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3

描述信息

同义名列表

34 个代谢物同义名

4-02-00-00159 (Beilstein Handbook Reference); Hexanol, acetate, branched and linear; Hexylester kyseliny octove [Czech]; Acetic acid, hexyl esters mixture; Acetic acid, hexyl ester; acetic acid hexyl ester; Hexyl acetate (natural); Hexyl alcohol, acetate; N-Hexyl ethanoate; EINECS 205-572-7; l-Hexyl acetate; n-Hexyl acetate; W256528_ALDRICH; W256501_ALDRICH; Hexyl ethanoate; 1-Hexyl acetate; Capryl acetate; 108154_ALDRICH; 461245_ALDRICH; Hexyl acetate; FEMA No. 2565; ZINC01683479; 45900_FLUKA; C8634_SIGMA; BRN 1747138; 25539_FLUKA; 88230-35-7; WLN: 6OV1; HSDB 5641; AI3-28569; 142-92-7; NSC 7323; NSC7323; Hexyl acetate

数据库引用编号

5 个数据库交叉引用编号

ChEBI: CHEBI:87510
PubChem: 8908
ChEMBL: CHEMBL2228454
CAS: 88230-35-7
CAS: 142-92-7

分类词条

酯类

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

42 个相关的物种来源信息

260130 - Acca sellowiana: 10.3390/MOLECULES24112053
155124 - Aspalathus linearis: 10.1021/JF00062A024
146531 - Avena byzantina: 10.1021/JF00112A045
4498 - Avena sativa: 10.1021/JF00112A045
173701 - Boswellia sacra: 10.1055/S-2006-962745
3483 - Cannabis sativa: 10.1021/NP50008A001
79217 - Citrus iyo: 10.1271/BBB1961.47.1841
3656 - Cucumis melo: 10.1111/J.1365-2621.1987.TB14284.X
52153 - Festuca rubra: 10.1016/0031-9422(91)84185-U
58228 - Garcinia mangostana: 10.1016/0031-9422(82)80025-3
261800 - Helichrysum pendulum: 10.1055/S-2006-957552
360619 - Heracleum antasiaticum: 10.1007/BF02236436
360621 - Heracleum persicum: 10.1055/S-2007-969621
39329 - Lavandula angustifolia: 10.1080/10412905.1997.9700727
1231670 - Leiocarpa semicalva: 10.1055/S-2006-957552
4606 - Lolium arundinaceum: 10.1016/0031-9422(91)84185-U
105884 - Lonicera japonica: 10.1186/1471-2164-13-195
3750 - Malus domestica: 10.1021/JF00025A025
283210 - Malus pumila: 10.1021/JF00025A025
389206 - Mandragora autumnalis: 10.1016/J.PHYTOCHEM.2005.07.016
33117 - Mandragora officinarum: 10.1016/J.PHYTOCHEM.2005.07.016
4146 - Olea europaea: 10.1016/S0031-9422(97)00730-9
49558 - Osmorhiza aristata: 10.1248/YAKUSHI1947.99.11_1116
35924 - Paeonia lactiflora: 10.1016/S0031-9422(00)94541-2
3329 - Picea abies: 10.1016/S0031-9422(00)80745-1
174549 - Polygala senega: 10.1002/FFJ.2730100408
120290 - Psidium guajava: 10.1016/0031-9422(82)80138-6
2586704 - Pternistria bispina: 10.1071/CH9670395
3767 - Pyrus pyrifolia: 10.1080/10412905.1992.9698151
97693 - Quercus agrifolia: 10.1016/S0031-9422(00)84047-9
1685715 - Salvia reuteriana: 10.1002/(SICI)1099-1026(199907/08)14:4<230::AID-FFJ816>3.0.CO;2-L
375857 - Scolochloa festucacea: 10.1016/0031-9422(91)84185-U
80338 - Spondias mombin: 10.1080/10412905.1992.9698127
40145 - Tricholoma matsutake:
103349 - Vitis rotundifolia: 10.1021/JF00112A014
29760 - Vitis vinifera: 10.1186/S12870-016-0760-1
33090 - 梅花: -
33090 - 玫瑰花: -
33090 - 矮地茶: -
33090 - 罗汉果: -
13422 - 菊花: -
33090 - 薄荷: -

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。

文献列表

Peng-Fei Lu, Ling-Qiao Huang, Chen-Zhu Wang. Identification and field evaluation of pear fruit volatiles attractive to the oriental fruit moth, Cydia molesta. Journal of chemical ecology. 2012 Aug; 38(8):1003-16. doi: 10.1007/s10886-012-0152-4. [PMID: 22730107]
Yogeswaran Umasankar, Glen C Rains, Ramaraja P Ramasamy. Electroanalytical studies on green leaf volatiles for potential sensor development. The Analyst. 2012 Jul; 137(13):3138-45. doi: 10.1039/c2an35350d. [PMID: 22634711]
Benjamin Fürstenau, Gloria Rosell, Angel Guerrero, Carmen Quero. Electrophysiological and behavioral responses of the black-banded oak borer, Coroebus florentinus, to conspecific and host-plant volatiles. Journal of chemical ecology. 2012 Apr; 38(4):378-88. doi: 10.1007/s10886-012-0110-1. [PMID: 22477026]
Eric G Dennis, Robert A Keyzers, Curtis M Kalua, Suzanne M Maffei, Emily L Nicholson, Paul K Boss. Grape contribution to wine aroma: production of hexyl acetate, octyl acetate, and benzyl acetate during yeast fermentation is dependent upon precursors in the must. Journal of agricultural and food chemistry. 2012 Mar; 60(10):2638-46. doi: 10.1021/jf2042517. [PMID: 22332880]
Rahele Ghanbari, Farooq Anwar, Khalid M Alkharfy, Anwarul-Hassan Gilani, Nazamid Saari. Valuable nutrients and functional bioactives in different parts of olive (Olea europaea L.)-a review. International journal of molecular sciences. 2012; 13(3):3291-3340. doi: 10.3390/ijms13033291. [PMID: 22489153]
Martin Pareja, Erika Qvarfordt, Ben Webster, Patrick Mayon, John Pickett, Michael Birkett, Robert Glinwood. Herbivory by a Phloem-feeding insect inhibits floral volatile production. PloS one. 2012; 7(2):e31971. doi: 10.1371/journal.pone.0031971. [PMID: 22384116]
Mokhtar Guerfel, Mohamed Ben Mansour, Youssef Ouni, Flamini Guido, Dalenda Boujnah, Mokhtar Zarrouk. Triacylglycerols composition and volatile compounds of virgin olive oil from Chemlali cultivar: comparison among different planting densities. TheScientificWorldJournal. 2012; 2012(?):354019. doi: 10.1100/2012/354019. [PMID: 22629139]
Dariusz Piesik, Grzegorz Lemńczyk, Agata Skoczek, Robert Lamparski, Jan Bocianowski, Karol Kotwica, Kevin J Delaney. Fusarium infection in maize: volatile induction of infected and neighboring uninfected plants has the potential to attract a pest cereal leaf beetle, Oulema melanopus. Journal of plant physiology. 2011 Sep; 168(13):1534-42. doi: 10.1016/j.jplph.2011.01.032. [PMID: 21492953]
Zsofia Szendrei, Anne Averill, Hans Alborn, Cesar Rodriguez-Saona. Identification and field evaluation of attractants for the cranberry weevil, Anthonomus musculus Say. Journal of chemical ecology. 2011 Apr; 37(4):387-97. doi: 10.1007/s10886-011-9938-z. [PMID: 21445566]
Federico Brilli, Taina M Ruuskanen, Ralf Schnitzhofer, Markus Müller, Martin Breitenlechner, Vinzenz Bittner, Georg Wohlfahrt, Francesco Loreto, Armin Hansel. Detection of plant volatiles after leaf wounding and darkening by proton transfer reaction 'time-of-flight' mass spectrometry (PTR-TOF). PloS one. 2011; 6(5):e20419. doi: 10.1371/journal.pone.0020419. [PMID: 21637822]
Michiel van Wijk, Paulien J A de Bruijn, Maurice W Sabelis. The predatory mite Phytoseiulus persimilis does not perceive odor mixtures as strictly elemental objects. Journal of chemical ecology. 2010 Nov; 36(11):1211-25. doi: 10.1007/s10886-010-9858-3. [PMID: 20872172]
Mohammed El Amine Dib, Nassim Djabou, Jean-Marie Desjobert, Houcine Allali, Boufeldja Tabti, Alain Muselli, Jean Costa. Characterization of volatile compounds of Daucus crinitus Desf. Headspace Solid Phase Microextraction as alternative technique to Hydrodistillation. Chemistry Central journal. 2010 Sep; 4(?):16. doi: 10.1186/1752-153x-4-16. [PMID: 20858266]
A M El-Sayed, V J Mitchell, G F McLaren, L M Manning, B Bunn, D M Suckling. Attraction of New Zealand flower thrips, Thrips obscuratus, to cis-jasmone, a volatile identified from Japanese honeysuckle flowers. Journal of chemical ecology. 2009 Jun; 35(6):656-63. doi: 10.1007/s10886-009-9619-3. [PMID: 19444522]
Zsofia Szendrei, Edi Malo, Lukasz Stelinski, Cesar Rodriguez-Saona. Response of cranberry weevil (Coleoptera: Curculionidae) to host plant volatiles. Environmental entomology. 2009 Jun; 38(3):861-9. doi: 10.1603/022.038.0340. [PMID: 19508797]
Laurent G Deluc, David R Quilici, Alain Decendit, Jérôme Grimplet, Matthew D Wheatley, Karen A Schlauch, Jean-Michel Mérillon, John C Cushman, Grant R Cramer. Water deficit alters differentially metabolic pathways affecting important flavor and quality traits in grape berries of Cabernet Sauvignon and Chardonnay. BMC genomics. 2009 May; 10(?):212. doi: 10.1186/1471-2164-10-212. [PMID: 19426499]
Jeyasankar Alagarmalai, David Nestel, Daniela Dragushich, Ester Nemny-Lavy, Leonid Anshelevich, Anat Zada, Victoria Soroker. Identification of host attractants for the ethiopian fruit fly, Dacus ciliatus loew. Journal of chemical ecology. 2009 May; 35(5):542-51. doi: 10.1007/s10886-009-9636-2. [PMID: 19440796]
Francesca Frati, Keith Chamberlain, Michael Birkett, Samuel Dufour, Patrick Mayon, Christine Woodcock, Lester Wadhams, John Pickett, Gianandrea Salerno, Eric Conti, Ferdinando Bin. Vicia faba-Lygus rugulipennis interactions: induced plant volatiles and sex pheromone enhancement. Journal of chemical ecology. 2009 Feb; 35(2):201-8. doi: 10.1007/s10886-008-9572-6. [PMID: 19198949]
Maaike Bruinsma, Maarten A Posthumus, Roland Mumm, Martin J Mueller, Joop J A van Loon, Marcel Dicke. Jasmonic acid-induced volatiles of Brassica oleracea attract parasitoids: effects of time and dose, and comparison with induction by herbivores. Journal of experimental botany. 2009; 60(9):2575-87. doi: 10.1093/jxb/erp101. [PMID: 19451186]
Qing-He Zhang, Jeffrey R Aldrich. Sex pheromone of the plant bug, Phytocoris calli knight. Journal of chemical ecology. 2008 Jun; 34(6):719-24. doi: 10.1007/s10886-008-9479-2. [PMID: 18465171]
Edward C Connor, Anja S Rott, Michael Zeder, Friedrich Jüttner, Silvia Dorn. 13C-labelling patterns of green leaf volatiles indicating different dynamics of precursors in Brassica leaves. Phytochemistry. 2008 Apr; 69(6):1304-12. doi: 10.1016/j.phytochem.2008.01.003. [PMID: 18325549]
Jetske G de Boer, Cornelis A Hordijk, Maarten A Posthumus, Marcel Dicke. Prey and non-prey arthropods sharing a host plant: effects on induced volatile emission and predator attraction. Journal of chemical ecology. 2008 Mar; 34(3):281-90. doi: 10.1007/s10886-007-9405-z. [PMID: 18185960]
M A Ibrahim, A Stewart-Jones, J Pulkkinen, G M Poppy, J K Holopainen. The influence of different nutrient levels on insect-induced plant volatiles in Bt and conventional oilseed rape plants. Plant biology (Stuttgart, Germany). 2008 Jan; 10(1):97-107. doi: 10.1111/j.1438-8677.2007.00013.x. [PMID: 18211550]
Francisco T Arroyo, Javier Moreno, Paula Daza, Lidiya Boianova, Fernando Romero. Antifungal activity of strawberry fruit volatile compounds against Colletotrichum acutatum. Journal of agricultural and food chemistry. 2007 Jul; 55(14):5701-7. doi: 10.1021/jf0703957. [PMID: 17567029]
Zeng-Guang Yan, Chen-Zhu Wang. Wound-induced green leaf volatiles cause the release of acetylated derivatives and a terpenoid in maize. Phytochemistry. 2006 Jan; 67(1):34-42. doi: 10.1016/j.phytochem.2005.10.005. [PMID: 16310233]
Alan Hern, Silvia Dorn. A female-specific attractant for the codling moth, Cydia pomonella, from apple fruit volatiles. Die Naturwissenschaften. 2004 Feb; 91(2):77-80. doi: 10.1007/s00114-003-0484-6. [PMID: 14991144]
Qing-He Zhang, Jeffrey R Aldrich. Pheromones of milkweed bugs (Heteroptera: Lygaeidae) attract wayward plant bugs: Phytocoris mirid sex pheromone. Journal of chemical ecology. 2003 Aug; 29(8):1835-51. doi: 10.1023/a:1024850211619. [PMID: 12956510]
Alexander B Filonow. Germination and adhesion of fungal conidia on polycarbonate membranes and on apple fruit exposed to mycoactive acetate esters. Canadian journal of microbiology. 2003 Feb; 49(2):130-8. doi: 10.1139/w03-019. [PMID: 12718401]
A B Filonow. Mycoactive acetate esters from apple fruit stimulate adhesion and germination of conidia of the gray mold fungus. Journal of agricultural and food chemistry. 2002 May; 50(11):3137-42. doi: 10.1021/jf011390r. [PMID: 12009975]
G V Reddy, A Guerrero. Behavioral responses of the diamondback moth, Plutella xylostella, to green leaf volatiles of Brassica oleracea subsp. capitata. Journal of agricultural and food chemistry. 2000 Dec; 48(12):6025-9. doi: 10.1021/jf0008689. [PMID: 11312775]