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CHEBI:47542 - (1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORMYLPROPYL]-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:47542
ChEBI Name(1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORMYLPROPYL]-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID
Stars
DownloadsMolfile
FormulaC17H27NO4
Net Charge0
Average Mass309.406
Monoisotopic Mass309.19401
SMILES[H]OC(=O)C1=C2[C@]([H])(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])[C@@]([H])([C@]([H])(C([H])=O)C([H])([H])C([H])([H])[H])N1[H]
InChIInChI=1S/C17H27NO4/c1-3-5-9-22-13-8-6-7-12-14(13)16(17(20)21)18-15(12)11(4-2)10-19/h10-13,15,18H,3-9H2,1-2H3,(H,20,21)/t11-,12+,13+,15+/m0/s1
InChIKeyWRBRCIHZCYLBFW-KYEXWDHISA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORMYLPROPYL]-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID (CHEBI:47542) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1S,4R,7aR)-4-butoxy-1-[(1R)-1-formylpropyl]-2,4,5,6,7,7a-hexahydro-1H-isoindole-3-carboxylic acidPDBeChem
(1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORMYLPROPYL]-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACIDPDBeChem
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