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CHEBI:142045 - 4a,5-dihydro-ML-236C carboxylate

ChEBI IDCHEBI:142045
ChEBI Name4a,5-dihydro-ML-236C carboxylate
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H29O4
Net Charge-1
Average Mass309.426
Monoisotopic Mass309.20713
SMILES[H][C@@]12C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@@]1([H])CCCC2
InChIInChI=1S/C18H30O4/c1-12-6-7-13-4-2-3-5-17(13)16(12)9-8-14(19)10-15(20)11-18(21)22/h6-7,12-17,19-20H,2-5,8-11H2,1H3,(H,21,22)/p-1/t12-,13+,14+,15+,16-,17-/m0/s1
InChIKeySCRFTRABHSKSMO-MDOLAMBHSA-M
ChEBI Ontology
Outgoing Relation(s)
4a,5-dihydro-ML-236C carboxylate (CHEBI:142045) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
UniProt Name  Source
dihydro-ML-236C carboxylateUniProt
Citations