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CHEBI:142046 - 3α-hydroxy-3,5-dihydro-ML-236C carboxylate

ChEBI IDCHEBI:142046
ChEBI Name3α-hydroxy-3,5-dihydro-ML-236C carboxylate
Stars
ASCII Name3alpha-hydroxy-3,5-dihydro-ML-236C carboxylate
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H29O5
Net Charge-1
Average Mass325.425
Monoisotopic Mass325.20205
SMILES[H][C@]12CCCCC1=C[C@@H](O)[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-]
InChIInChI=1S/C18H30O5/c1-11-15(7-6-13(19)9-14(20)10-18(22)23)16-5-3-2-4-12(16)8-17(11)21/h8,11,13-17,19-21H,2-7,9-10H2,1H3,(H,22,23)/p-1/t11-,13-,14-,15+,16+,17-/m1/s1
InChIKeyXURYLQWHJLNCFX-RLVGIJBXSA-M
ChEBI Ontology
Outgoing Relation(s)
3α-hydroxy-3,5-dihydro-ML-236C carboxylate (CHEBI:142046) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
UniProt Name  Source
3α-hydroxy-3,5-dihydro-ML-236C carboxylateUniProt
Citations