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CHEBI:206444 - 19-O-stearoylsarcodonin A

ChEBI IDCHEBI:206444
ChEBI Name19-O-stearoylsarcodonin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H62O4
Net Charge0
Average Mass582.910
Monoisotopic Mass582.46481
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](C)C1=C2C3=CC=C(C=O)C[C@H](O)[C@]3(C)CC[C@@]2(C)CC1
InChIInChI=1S/C38H62O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35(41)42-29-30(2)32-23-24-37(3)25-26-38(4)33(36(32)37)22-21-31(28-39)27-34(38)40/h21-22,28,30,34,40H,5-20,23-27,29H2,1-4H3/t30-,34+,37-,38-/m1/s1
InChIKeyHXEOGVPSWPBMSI-NHVZWACOSA-N
Species of MetaboliteComponentSourceComments
Sarcodon scabrosus (ncbitaxon:178525) - PubMed (15215604)
ChEBI Ontology
Outgoing Relation(s)
19-O-stearoylsarcodonin A (CHEBI:206444) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(2S)-2-[(3aR,5aR,6S)-8-ormyl-6-hydroxy-3a,5a-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[g]inden-1-yl]propyl] octadecanoate
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78438409ChemSpider