CHEBI:144156 - 3-Methoxycolensoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 3-Methoxycolensoic acid
ChEBI ID CHEBI:144156
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C26H32O8
Net Charge 0
Average Mass 472.528
Monoisotopic Mass 472.210
InChI InChI=1S/C26H32O8/c1-5-7-9-11-15-13-18(31-3)23(32-4)24-20(15)26(30)33-19-14-17(27)21(25(28)29)16(22(19)34-24)12-10-8-6-2/h13-14,27H,5-12H2,1-4H3,(H,28,29)
InChIKey GHBZVNHEVHMKOB-UHFFFAOYSA-N
SMILES O=C1OC2=C(C(=C(C(=O)O)C(=C2)O)CCCCC)OC3=C1C(=CC(=C3OC)OC)CCCCC
ChEBI Ontology
Outgoing 3-Methoxycolensoic acid (CHEBI:144156) is a carbonyl compound (CHEBI:36586)