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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4a,5-dihydro-ML-236C carboxylate
ChEBI ID CHEBI:142045
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C18H29O4
Net Charge -1
Average Mass 309.421
Monoisotopic Mass 309.20713
InChI InChI=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
InChIKey SCRFTRABHSKSMO-MDOLAMBHSA-M
SMILES [C@@]12(CCCC[C@@]1(C=C[C@@H]([C@@H]2CC[C@H](C[C@H](CC(=O)[O-])O)O)C)[H])[H]
ChEBI Ontology
Outgoing 4a,5-dihydro-ML-236C carboxylate (CHEBI:142045) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
Synonym Source
dihydro-ML-236C carboxylate UniProt
Citations Waiting for Citations Types Sources
1010803 PubMed citation SUBMITTER
12172803 PubMed citation SUBMITTER