Simplified Molecular Input Line Entry System: Difference between revisions

Revision as of 01:43, 8 July 2020

Revision as of 01:45, 8 July 2020

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|-----

|[[Vanillin]]

|[[Image:Vanillin.svg|70px|''Molecular structure of vanillin'']]

|<code>O=Cc1ccc(O)c(OC)c1<br/>COCc1cc(C=O)ccc1O</code>

|-----

|[[Melatonin]] (C₁₃H₁₆N₂O₂)

|[[Image:Melatonin2.svg|160px|''Molecular structure of melatonin'']]

|<code>CC(=O)NCCC1=CNc2c1cc(OC)cc2<br/>CC(=O)NCCc1c[nH]c2ccc(OC)cc12</code>

|-----

|[[Flavopereirin]] (C₁₇H₁₅N₂)

|[[Image:Flavopereirine.svg|160px|''Molecular structure of flavopereirin'']]

|<code>CCc(c1)ccc2[n+]1ccc3c2[nH]c4c3cccc4<br/>CCc1c[n+]2ccc3c4ccccc4[nH]c3c2cc1</code>

|-----

|[[Nicotine]] (C₁₀H₁₄N₂)

|[[Image:Nicotine.svg|80px|''Molecular structure of nicotine'']]

|<code>CN1CCC[C@H]1c2cccnc2</code>

|-----

|[[Oenanthotoxin]] (C₁₇H₂₂O₂)

|[[Image:Oenanthotoxin-structure.png|180px|''Molecular structure of oenanthotoxin'']]

|<code>CCC[C@@H](O)CC\C=C\C=C\C#CC#C\C=C\CO<br/>CCC[C@@H](O)CC/C=C/C=C/C#CC#C/C=C/CO</code>

|-----

|[[Pyrethrin]] II (C₂₂H₂₈O₅)

|[[Image:Pyrethrin-II-2D-skeletal.svg|180px|''Molecular structure of pyrethrin II'']]

|<code>CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C/C=C\C=C</code>

|-----

|[[Aflatoxin]] B₁ (C₁₇H₁₂O₆)

|[[Image:Aflatoxin B1.svg|130px|''Molecular structure of aflatoxin B₁'']]

|<code>O1C=C[C@H]([C@H]1O2)c3c2cc(OC)c4c3OC(=O)C5=C4CCC(=O)5</code>

|-----

|[[Glucose]] (β-<small>D</small>-glucopyranose) (C₆H₁₂O₆)

|[[Image:Beta-D-Glucose.svg|140px|''Molecular structure of glucopyranose'']]

|<code>OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1</code>

|-----

|[[Bergenin]] (cuscutin, a [[resin]]) (C₁₄H₁₆O₉)

|[[Image:Cuscutine.svg|130px|''Molecular structure of cuscutine (bergenin)'']]

|<code>OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H]2[C@@H]1c3c(O)c(OC)c(O)cc3C(=O)O2</code>

|-----

|A [[pheromone]] of the Californian [[scale insect]]

|[[Image:Pheromone cochenille californienne.svg|180px|''(3<i>''Z</i>'',6<i>''R</i>'')-3-methyl-6-(prop-1-en-2-yl)deca-3,9-dien-1-yl acetate'']]

|<code>CC(=O)OCCC(/C)=C\C[C@H](C(C)=C)CCC=C</code>

|-----

|(2''S'',5''R'')-[[Chalcogran]]: a [[pheromone]] of the [[Scolytinae|bark beetle]] ''[[Pityogenes chalcographus]]''<ref>{{cite journal|last1=Byers|first1=JA|last2=Birgersson|first2=G|last3=Löfqvist|first3=J

|last4=Appelgren|first4=M|last5=Bergström|first5=G| title = Isolation of pheromone synergists of bark beetle, ''Pityogenes chalcographus'', from complex insect-plant odors by fractionation and subtractive-combination bioassay | journal = Journal of Chemical Ecology | volume = 16 | issue = 3 | pages = 861–76 | date = Mar 1990 | pmid = 24263601 | doi = 10.1007/BF01016496 | url = http://www.chemical-ecology.net/pdf/Byersetal1990a.pdf}}</ref>

|[[Image:2S,5R-chalcogran-skeletal.svg|130px|''(2<i>''S</i>'',5<i>''R</i>'')-2-ethyl-1,6-dioxaspiro[4.4]nonane'']]

|<code>CC[C@H](O1)CC[C@@]12CCCO2</code>

|-----

|[[Thujone|α-Thujone]] (C₁₀H₁₆O)

|[[Image:Alpha-thujone.svg|100px|''Molecular structure of thujone'']]

|<code>CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2</code>

|-----

|[[Thiamine]] (vitamin B₁, C₁₂H₁₇N₄OS⁺)

|[[Image:Thiamin.svg|150px|''Molecular structure of thiamin'']]

|<code>OCCc1c(C)[n+](cs1)Cc2cnc(C)nc2N</code>

|}

Line 211:

To illustrate a molecule with more than 9 rings, consider [[cephalostatin]]-1,<ref name="PubChem-183413">{{cite web |title=CID 183413 |url=https://pubchem.ncbi.nlm.nih.gov/compound/183413 |website=[[PubChem]] |accessdate=May 12, 2012 |language=en}}</ref> a steroidic 13-ringed [[pyrazine]] with the [[empirical formula]] C₅₄H₇₄N₂O₁₀ isolated from the [[Indian Ocean]] [[hemichordate]] ''[[Cephalodiscus gilchristi]]'':

{{Clear}}

:[[Image:Cephalostatine-1.svg|360px|''Molecular structure of cephalostatin-1'']]

Starting with the left-most methyl group in the figure: