CHEBI:231450 - dihydroniloticin

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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 dihydroniloticin
ChEBI ID CHEBI:231450
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C30H50O3
Net Charge 0
Average Mass 458.727
Monoisotopic Mass 458.37600
InChI InChI=1S/C30H50O3/c1-18(17-22(31)25-27(4,5)33-25)19-11-15-30(8)21-9-10-23-26(2,3)24(32)13-14-28(23,6)20(21)12-16-29(19,30)7/h9,18-20,22-25,31-32H,10-17H2,1-8H3/t18-,19-,20-,22+,23-,24-,25-,28+,29-,30+/m0/s1
InChIKey UMTABACRBSGXGK-ZAVAKTSASA-N
SMILES C1C[C@@H](C([C@]2([C@]1([C@@]3(C(=CC2)[C@@]4([C@@](CC3)([C@@](CC4)([C@@H](C)C[C@H]([C@H]5C(C)(C)O5)O)[H])C)C)[H])C)[H])(C)C)O
ChEBI Ontology
Outgoing dihydroniloticin (CHEBI:231450) is a epoxide (CHEBI:32955)
dihydroniloticin (CHEBI:231450) is a organic heterohexacyclic compound (CHEBI:51914)
dihydroniloticin (CHEBI:231450) is a tetracyclic triterpenoid (CHEBI:26893)
Synonym Source
dihydroniloticin UniProt
Citation Waiting for Citations Type Source
36082289 PubMed citation SUBMITTER