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CHEBI:218273 - Actinoallolide D

ChEBI IDCHEBI:218273
ChEBI NameActinoallolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H52O7
Net Charge0
Average Mass548.761
Monoisotopic Mass548.37130
SMILESCCC1=C2CC(=O)O[C@@H]([C@H](C)[C@H](O)[C@H](C)CC(C)=C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)CC)CC=C(C)CC(C)(O2)C1=O
InChIInChI=1S/C32H52O7/c1-10-24-27-16-28(34)38-26(13-12-18(3)17-32(9,39-27)31(24)37)23(8)30(36)21(6)15-19(4)14-20(5)29(35)22(7)25(33)11-2/h12,14,20-23,25-26,29-30,33,35-36H,10-11,13,15-17H2,1-9H3/t20-,21+,22+,23-,25-,26+,29+,30+,32?/m0/s1
InChIKeyFRIXVASHXAKYRS-LLAZDTPNSA-N
Species of MetaboliteComponentSourceComments
Actinoallomurus (ncbitaxon:667113) - PubMed (25635351)
ChEBI Ontology
Outgoing Relation(s)
Actinoallolide D (CHEBI:218273) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(5R)-12-ethyl-8,10-dimethyl-5-[(2R,3R,4R,8S,9R,10R,11S)-3,9,11-trihydroxy-4,6,8,10-tetramethyltridec-6-en-2-yl]-4,13-dioxabicyclo[8.2.1]trideca-1(12),7-diene-3,11-dione