CHEBI:208551 - Stearyl-velutinal

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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 Stearyl-velutinal
ChEBI ID CHEBI:208551
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H56O4
Net Charge 0
Average Mass 516.807
Monoisotopic Mass 516.41786
InChI InChI=1S/C33H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(34)36-29-32-23-31(32,4)26-22-30(2,3)21-25(26)28-33(32,37-28)24-35-29/h25-26,28-29H,5-24H2,1-4H3/t25-,26+,28+,29-,31-,32?,33?/m0/s1
InChIKey VRKPUGRREPONNX-MHQIOABUSA-N
SMILES O=C(O[C@@H]1OCC23C14[C@@]([C@@H]5CC(C)(C)C[C@@H]5[C@H]2O3)(C)C4)CCCCCCCCCCCCCCCCC
Metabolite of Species Details
Lactarius (NCBI:txid34444) See: DOI
ChEBI Ontology
Outgoing Stearyl-velutinal (CHEBI:208551) is a diterpenoid (CHEBI:23849)
IUPAC Name
[(3R,4S,8R,9S,12S)-6,6,9-trimethyl-2,13-dioxapentacyclo[9.3.0.01,3.04,8.09,11]tetradecan-12-yl] octadecanoate
Manual Xref Database
78437921 ChemSpider
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