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CHEBI:80906 - Sumaresinol

Default Structure
ChEBI IDCHEBI:80906
ChEBI NameSumaresinol
Stars
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)C[C@@H](O)[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-21-27(5)11-10-22(32)26(3,4)23(27)20(31)17-29(21,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21+,22-,23-,27+,28+,29+,30-/m0/s1
InChIKeyKLHSKTMVSOWVLD-WPDRYGPBSA-N
ChEBI Ontology
Outgoing Relation(s)
Sumaresinol (CHEBI:80906) is a triterpenoid (CHEBI:36615)
Synonym  Source
Sumaresinolic acidKEGG COMPOUND
Manual XrefsDatabases
C17070KEGG COMPOUND