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CHEBI:202419 - Eringiacetal A

ChEBI IDCHEBI:202419
ChEBI NameEringiacetal A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H44O4
Net Charge0
Average Mass456.667
Monoisotopic Mass456.32396
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@@]4(C)O[C@@]56C[C@@H](O)CC[C@]5(C)[C@]3(CC[C@@]21C)OC4O6
InChIInChI=1S/C29H44O4/c1-17(2)18(3)8-9-19(4)21-10-11-22-23-27(7)24-31-28(23,15-14-25(21,22)5)26(6)13-12-20(30)16-29(26,32-24)33-27/h8-9,17-21,24,30H,10-16H2,1-7H3/b9-8+/t18-,19+,20-,21+,24?,25+,26+,27+,28+,29-/m0/s1
InChIKeyAILAUDQCPFZJDH-DVFXPGKDSA-N
Species of MetaboliteComponentSourceComments
Pleurotus eryngii (ncbitaxon:5323) - DOI (10.1002/ejoc.201500382)
ChEBI Ontology
Outgoing Relation(s)
Eringiacetal A (CHEBI:202419) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,4R,5R,10R,13R,15S,18R)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-4,10,18-trimethyl-12,19,20-trioxahexacyclo[9.7.1.110,13.01,9.04,8.013,18]icos-8-en-15-ol