CHEBI:140655 - 16α-hydroxy-β-amyrin

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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 16α-hydroxy-β-amyrin
ChEBI ID CHEBI:140655
ChEBI ASCII Name 16alpha-hydroxy-beta-amyrin
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C30H50O2
Net Charge 0
Average Mass 442.718
Monoisotopic Mass 442.38108
InChI InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22+,23-,24+,27-,28-,29+,30+/m0/s1
InChIKey VLRYIIPJIVGFIV-PXCMFJNASA-N
SMILES [C@@]12(C([C@@]3(CC(CC[C@@]3([C@@H](C1)O)C)(C)C)[H])=CC[C@]4([C@]2(CC[C@@]5([C@@]4(CC[C@@H](C5(C)C)O)C)[H])C)[H])C
ChEBI Ontology
Outgoing 16α-hydroxy-β-amyrin (CHEBI:140655) has functional parent β-amyrin (CHEBI:10352)
16α-hydroxy-β-amyrin (CHEBI:140655) has parent hydride oleanane (CHEBI:36481)
16α-hydroxy-β-amyrin (CHEBI:140655) is a pentacyclic triterpenoid (CHEBI:25872)
Synonym Source
16α-hydroxy-β-amyrin UniProt
Manual Xref Database
CPD-20420 MetaCyc accession
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Citation Waiting for Citations Type Source
25578277 PubMed citation SUBMITTER