CHEBI:71577 - glycyrrhetaldehyde

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ChEBI Name glycyrrhetaldehyde ChEBI ID CHEBI:71577 Definition A pentacyclic triterpenoid that is β-amyrin carrying two oxo substituents at positions 11 and 30. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H46O3 Net Charge 0 Average Mass 454.68440 Monoisotopic Mass 454.34470 InChI InChI=1S/C30H46O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,18,20,22-24,33H,8-15,17H2,1-7H3/t20-,22-,23-,24+,26-,27+,28-,29+,30+/m0/s1 InChIKey OTKNPGBTQXVJNH-DQOTWGJISA-N SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C=O ChEBI Ontology Outgoing glycyrrhetaldehyde (CHEBI:71577) has functional parent β-amyrin (CHEBI:10352) glycyrrhetaldehyde (CHEBI:71577) is a cyclic terpene ketone (CHEBI:36130) glycyrrhetaldehyde (CHEBI:71577) is a pentacyclic triterpenoid (CHEBI:25872) IUPAC Name 3β-hydroxy-11-oxoolean-12-en-30-al Synonyms Sources (3β)-3-hydroxy-11-oxoolean-12-en-30-al ChEBI 11,30-dioxo-β-amyrin ChEBI glycyrrhetaldehyde UniProt Manual Xref Database CPD-14485 MetaCyc View more database links Citation Type Source 22128119 PubMed citation SUBMITTER Last Modified 17 January 2013