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CHEBI:202880 - (24E)-3-oxo-23-hydroxycycloart-24-en-26-oic acid

Default Structure
ChEBI IDCHEBI:202880
ChEBI Name(24E)-3-oxo-23-hydroxycycloart-24-en-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O4
Net Charge0
Average Mass470.694
Monoisotopic Mass470.33961
SMILESC/C(=C\C(O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O
InChIInChI=1S/C30H46O4/c1-18(15-20(31)16-19(2)25(33)34)21-9-11-28(6)23-8-7-22-26(3,4)24(32)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h16,18,20-23,31H,7-15,17H2,1-6H3,(H,33,34)/b19-16+/t18-,20?,21-,22+,23+,27-,28+,29-,30+/m1/s1
InChIKeyWQMAGDSBYCIARL-VXEOXPBSSA-N
ChEBI Ontology
Outgoing Relation(s)
(24E)-3-oxo-23-hydroxycycloart-24-en-26-oic acid (CHEBI:202880) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,6R)-4-hydroxy-2-methyl-6-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid
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