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CHEBI:200459 - Actinoallolide E

ChEBI IDCHEBI:200459
ChEBI NameActinoallolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O7
Net Charge0
Average Mass546.745
Monoisotopic Mass546.35565
SMILESCCC(=O)[C@@H](C)[C@H](O)[C@@H](C)C=C(C)C[C@@H](C)[C@H]1OC(=O)CC2=C(CC)C(=O)C(C)(CC(C)=CC[C@@H](O)[C@H]1C)O2
InChIInChI=1S/C32H50O7/c1-10-24-27-16-28(35)38-30(21(6)15-19(4)14-20(5)29(36)22(7)25(33)11-2)23(8)26(34)13-12-18(3)17-32(9,39-27)31(24)37/h12,14,20-23,26,29-30,34,36H,10-11,13,15-17H2,1-9H3/t20-,21+,22+,23+,26+,29+,30+,32?/m0/s1
InChIKeyVGSMDJWAWJALKD-GFCNXCJQSA-N
Species of MetaboliteComponentSourceComments
Actinoallomurus (ncbitaxon:667113) - PubMed (25635351)
ChEBI Ontology
Outgoing Relation(s)
Actinoallolide E (CHEBI:200459) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(5R,6R,7R)-14-ethyl-7-hydroxy-5-[(2R,6S,7R,8S)-7-hydroxy-4,6,8-trimethyl-9-oxoundec-4-en-2-yl]-6,10,12-trimethyl-4,15-dioxabicyclo[10.2.1]pentadeca-1(14),9-diene-3,13-dione