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CHEBI:210244 - Longidiacid A

Default Structure
ChEBI IDCHEBI:210244
ChEBI NameLongidiacid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O6
Net Charge0
Average Mass420.546
Monoisotopic Mass420.25119
SMILESCC(=O)OCC=C(C)CC1=C(CC(=O)O)[C@]2(C)CCC[C@@](C)(COC(C)=O)[C@H]2CC1
InChIInChI=1S/C24H36O6/c1-16(9-12-29-17(2)25)13-19-7-8-21-23(4,15-30-18(3)26)10-6-11-24(21,5)20(19)14-22(27)28/h9,21H,6-8,10-15H2,1-5H3,(H,27,28)/t21-,23+,24+/m1/s1
InChIKeyPZPSBQQUTMPFKA-NHTMILBNSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (32717916)
ChEBI Ontology
Outgoing Relation(s)
Longidiacid A (CHEBI:210244) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
2-[(4aS,5R,8aR)-5-(acetyloxymethyl)-2-(4-acetyloxy-2-methylbut-2-enyl)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]acetic acid