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gilienv / EssOilDB

Restructuring of Essential Oil Database
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CompoundData Issue: ◆f (◆ = Space) #73

Open EmanuelFaria opened 5 years ago

EmanuelFaria commented 5 years ago

ISSUE: ◆f (◆ = Space)

I've replaced the spaces with "◆" to make them visible. I will replace them after fixing any problems.

Can you please tell me whether the issue identified in the title above (also, see file attached) should be replaced, and if so, with what?

Thanks!

Manny P.S. I've been working with Dr. Gita to identify and correct data in each of the databases. P.P.S More files with questions to follow.

◆f issues.pdf

petermr commented 5 years ago

I am not sure what the " f" issues is. More generally we should find out what the compound actually is and link to an authority (PubChem, ChEBI, Wikidata ...)

my comments

(e)-nuciferyl◆formate find forward slashes and " problem

Probably an ester, so space

357 (e,e)-alpha-farnesene◆f farnesene◆f

no idea what the "f" is doing (https://en.wikipedia.org/wiki/Farnesene)

369 (e,e)-farnesol◆dimethyl◆for◆acetophenone what is "for" doing in caname?

No idea (?corrupt). Possibly misprint for DMF - 

 372 (e,e)-farnesyl◆acetone◆f acetone◆f

probably https://pubchem.ncbi.nlm.nih.gov/compound/Farnesyl-acetone a trivial name. NOTE: we need a column in each table for recording updates and indicating ambiguity

700 1,10-beta-epoxy-6-oxo◆furano◆eremophilane

probably hyphens

1231 2-Pentyl◆furan

hyphen

1440 2-nonyl◆furan

Manny try these in https://opsin.ch.cam.ac.uk/ actually " ", "-" and "" all gve same correct result.

But there are no simple rules, you need to know some chemical nomenclature. Always try OPSIN and PubChem/Wikidata first

1634 3-hexenyl◆formate

space - ester

 2271 acetyl◆furan

no space (ambiguous)

2604 alpha-terpinyl◆formate

ester

I'll post an issue

EmanuelFaria commented 5 years ago

NOTE: we need a column in each table for recording updates and indicating ambiguity

Do you want me to upload my semi-cleaned table as a Google Spreadsheet so we can update it together there? (I can add extra fields/columns for editors to mark their changes, or whatever else is necessary). Then, when we're all satisfied, I'll give it one more clean to get rid of trailing spaces and other hidden characters that may be introduced during the group edit.

EmanuelFaria commented 5 years ago

Manny try these in https://opsin.ch.cam.ac.uk/ actually " ", "-" and "" all give same correct result.

@petermr I'm not sure how to use this. Everything I put in the field just returns an error.

P.S. All of you need to know: I'm a chemistry layman. I've just got a knack for spotting anomalies.

(True fact: I dropped out of Chem 101 three times in first year university... It's been 30 years and I still have recurring nightmares about suddenly remembering I enrolled in the class, haven't attended for months, and have an exam going on at that moment. I end up frantically going classroom to classroom poking my head in the door and asking "Hey, do you guys recognize me? Is this my class?": as I try to figure out what exam room I'm supposed to be in.)