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CHEBI:180452 - Egregiachloride A

ChEBI IDCHEBI:180452
ChEBI NameEgregiachloride A
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FormulaC18H27ClO3
Net Charge0
Average Mass326.864
Monoisotopic Mass326.16487
SMILES[H][C@@]1([C@@H](Cl)CC)C[C@@H]2O[C@@H]2[C@H]1/C=C\C/C=C\CCCCC(=O)O
InChIInChI=1S/C18H27ClO3/c1-2-15(19)14-12-16-18(22-16)13(14)10-8-6-4-3-5-7-9-11-17(20)21/h3-4,8,10,13-16,18H,2,5-7,9,11-12H2,1H3,(H,20,21)/b4-3-,10-8-/t13-,14+,15-,16-,18+/m0/s1
InChIKeyBUSAMCWWFKPNGV-SOVGUPCDSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Egregiachloride A (CHEBI:180452) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(6Z,9Z)-10-[(1R,2S,3R,5S)-3-[(1S)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid
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