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CHEBI:175727 - (3b,22S,24E)-3,22-Dihydroxycycloart-24-en-26-oic acid

Default Structure
ChEBI IDCHEBI:175727
ChEBI Name(3b,22S,24E)-3,22-Dihydroxycycloart-24-en-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILESC/C(=C/CC(O)C(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(=O)O
InChIInChI=1S/C30H48O4/c1-18(25(33)34)7-8-21(31)19(2)20-11-13-28(6)23-10-9-22-26(3,4)24(32)12-14-29(22)17-30(23,29)16-15-27(20,28)5/h7,19-24,31-32H,8-17H2,1-6H3,(H,33,34)/b18-7-
InChIKeyWCKMOTWOWWZGCU-WSVATBPTSA-N
ChEBI Ontology
Outgoing Relation(s)
(3b,22S,24E)-3,22-Dihydroxycycloart-24-en-26-oic acid (CHEBI:175727) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(Z)-5-hydroxy-6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoic acid
Manual XrefsDatabases
74886447ChemSpider
HMDB0036063HMDB