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CHEBI:208962 - Actinoallolide A

ChEBI IDCHEBI:208962
ChEBI NameActinoallolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H52O8
Net Charge0
Average Mass564.760
Monoisotopic Mass564.36622
SMILESCCC(=O)[C@@H](C)[C@H](O)[C@@H](C)C=C(C)C[C@@H](C)[C@@H](O)[C@@H](C)[C@H]1CC=C(C)CC2(C)OC(O)(CC(=O)O1)[C@H](CC)C2=O
InChIInChI=1S/C32H52O8/c1-10-24-30(37)31(9)16-18(3)12-13-26(39-27(34)17-32(24,38)40-31)23(8)29(36)21(6)15-19(4)14-20(5)28(35)22(7)25(33)11-2/h12,14,20-24,26,28-29,35-36,38H,10-11,13,15-17H2,1-9H3/t20-,21+,22+,23-,24+,26+,28+,29+,31?,32?/m0/s1
InChIKeyHGDVFZDJXDLEKR-SFAJNDLDSA-N
Species of MetaboliteComponentSourceComments
Actinoallomurus (ncbitaxon:667113) - PubMed (25635351)
ChEBI Ontology
Outgoing Relation(s)
Actinoallolide A (CHEBI:208962) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(5R,12R)-5-[(2R,3R,4R,8S,9R,10S)-3,9-dihydroxy-4,6,8,10-tetramethyl-11-oxotridec-6-en-2-yl]-12-ethyl-1-hydroxy-8,10-dimethyl-4,13-dioxabicyclo[8.2.1]tridec-7-ene-3,11-dione