Concept information
Preferred term
3 کتوتائورانین
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C22H28O5
inchi
- InChI=1S/C22H28O5/c1-12-5-6-17-21(2,3)18(25)7-8-22(17,4)15(12)10-14-16(24)9-13(11-23)19(26)20(14)27/h9,15,17,23,27H,1,5-8,10-11H2,2-4H3/t15-,17-,22+/m0/s1
inchikey
- QMIRFTXAKMDLAF-GIMINZRKSA-N
mass
- 372.461
monoisotopicmass
- 372.19367
smiles
- O=C1C(O)=C(C(=O)C=C1CO)C[C@H]2C(=C)CC[C@@H]3[C@@]2(CCC(C3(C)C)=O)C
subset
- 2_STAR
synonym EXACT
- 2-[[(1S,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]methyl]-3-hydroxy-5-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:221394
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