Concept information
Preferred term
(e)-2-(hydroxymethyl)-3-[(3aalpha)-3-oxo-5beta-isopropyl-7aalpha-hydroxyoctahydroisobenzofuran-4alpha-yl]acrylic acid
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C15H22O6
inchi
- InChI=1S/C15H22O6/c1-8(2)10-3-4-15(20)7-21-14(19)12(15)11(10)5-9(6-16)13(17)18/h5,8,10-12,16,20H,3-4,6-7H2,1-2H3,(H,17,18)/b9-5+/t10-,11-,12-,15-/m1/s1
inchikey
- WGNDRSIKIXVFLD-HXYHFMIISA-N
mass
- 298.335
monoisotopicmass
- 298.14164
smiles
- O1C[C@@]2(O)[C@]([C@@H]([C@H](CC2)C(C)C)/C=C(/CO)/C(O)=O)(C1=O)[H]
subset
- 2_STAR
synonym EXACT
- (E)-3-[(3aS,4S,5R,7aS)-7a-hydroxy-3-oxo-5-propan-2-yl-1,3a,4,5,6,7-hexahydro-2-benzouran-4-yl]-2-(hydroxymethyl)prop-2-enoic acid
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:182049
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