CHEBI:204049 - Palmitoyl velutinal

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 Palmitoyl velutinal
ChEBI ID CHEBI:204049
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H52O4
Net Charge 0
Average Mass 488.753
Monoisotopic Mass 488.38656
InChI InChI=1S/C31H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(32)34-27-30-21-29(30,4)24-20-28(2,3)19-23(24)26-31(30,35-26)22-33-27/h23-24,26-27H,5-22H2,1-4H3/t23-,24+,26+,27-,29-,30+,31+/m1/s1
InChIKey DDEWTUXXHCPJQF-USPSUOOISA-N
SMILES O=C(O[C@H]1OC[C@@]23[C@]14[C@]([C@H]5CC(C)(C)C[C@H]5[C@@H]2O3)(C)C4)CCCCCCCCCCCCCCC
Metabolite of Species Details
Russula cuprea (NCBI:txid176790) See: DOI
ChEBI Ontology
Outgoing Palmitoyl velutinal (CHEBI:204049) is a diterpenoid (CHEBI:23849)
IUPAC Name
[(1S,3S,4R,8S,9R,11S,12R)-6,6,9-trimethyl-2,13-dioxapentacyclo[9.3.0.01,3.04,8.09,11]tetradecan-12-yl] hexadecanoate
Manual Xref Database
78437088 ChemSpider
View more database links