EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:203885 - 19-O-linoleoylsarcodonin A

ChEBI IDCHEBI:203885
ChEBI Name19-O-linoleoylsarcodonin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H58O4
Net Charge0
Average Mass578.878
Monoisotopic Mass578.43351
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=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/C38H58O4/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/h9-10,12-13,21-22,28,30,34,40H,5-8,11,14-20,23-27,29H2,1-4H3/b10-9-,13-12-/t30-,34+,37-,38-/m1/s1
InChIKeyBZWGMCWZXRKRBF-JZSWCJGMSA-N
Species of MetaboliteComponentSourceComments
Sarcodon scabrosus (ncbitaxon:178525) - PubMed (15215604)
ChEBI Ontology
Outgoing Relation(s)
19-O-linoleoylsarcodonin A (CHEBI:203885) 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] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
78437062ChemSpider