CHEBI:4701 - Doronine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Doronine
ChEBI ID CHEBI:4701
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H30ClNO8
Net Charge 0
Average Mass 459.919
Monoisotopic Mass 459.16599
InChI InChI=1S/C21H30ClNO8/c1-12-10-21(28,13(2)22)19(27)30-16-7-9-23(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,28H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20-,21+/m1/s1
InChIKey VGRSISYREBBIAL-XAHVSKGQSA-N
SMILES C[C@@H](Cl)[C@@]1(O)C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OC\C2=C\CN(C)CC[C@@H](OC1=O)C2=O
ChEBI Ontology
Outgoing Doronine (CHEBI:4701) is a carboxylic ester (CHEBI:33308)
Doronine (CHEBI:4701) is a ketone (CHEBI:17087)
Synonyms Sources
4,8-Secosenecionan-8,11,16-trione, 15,20-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl- KEGG COMPOUND
Doronine KEGG COMPOUND
Manual Xrefs Databases
C00002084 KNApSAcK
C10286 KEGG COMPOUND
View more database links
Registry Number Type Source
60367-00-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014