CHEBI:168592 - Carindone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Carindone
ChEBI ID CHEBI:168592
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H44O6
Net Charge 0
Average Mass 512.687
Monoisotopic Mass 512.31379
InChI InChI=1S/C31H44O6/c1-16-21-14-19(28(5,6)36)10-12-30(21,8)26-22(23(16)32)25(34)31(37-26)15-29(7)11-9-18(27(3,4)35)13-20(29)17(2)24(31)33/h18-19,22,26,35-36H,9-15H2,1-8H3
InChIKey SKUVBRVOKSCXDJ-UHFFFAOYSA-N
SMILES O1C2C3(C(CC(CC3)C(O)(C)C)=C(C(=O)C2C(=O)C14CC5(C(CC(CC5)C(O)(C)C)=C(C4=O)C)C)C)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Carindone (CHEBI:168592) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
7,7'-bis(2-hydroxypropan-2-yl)-1',4'a,5,9a-tetramethylspiro[3a,6,7,8,9,9b-hexahydrobenzo[g][1]benzouran-2,3'-5,6,7,8-tetrahydro-4H-naphthalene]-2',3,4-trione
Manual Xrefs Databases
35014529 ChemSpider
HMDB0038189 HMDB
View more database links