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CHEBI:216488 - 3beta,14beta-dihydroxy-6-oxo-A-norergosta-7,22-diene-4-oic acid delta-lactone

ChEBI IDCHEBI:216488
ChEBI Name3beta,14beta-dihydroxy-6-oxo-A-norergosta-7,22-diene-4-oic acid delta-lactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O5
Net Charge0
Average Mass456.623
Monoisotopic Mass456.28757
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4[C@@]5(O)CC[C@]4(C)[C@]3(CC[C@]12C)OC5=O
InChIInChI=1S/C28H40O5/c1-16(2)17(3)7-8-18(4)19-9-10-27(32)21-15-20(29)22-25(6)11-13-26(22,31)23(30)33-28(21,25)14-12-24(19,27)5/h7-8,15-19,22,31-32H,9-14H2,1-6H3/b8-7+/t17-,18+,19+,22-,24+,25-,26-,27-,28+/m0/s1
InChIKeyHWTADBLONBIKPB-DLYACJOKSA-N
Species of MetaboliteComponentSourceComments
Lasiodiplodia pseudotheobromae (ncbitaxon:466954) - DOI (10.1016/j.tetlet.2020.151737)
ChEBI Ontology
Outgoing Relation(s)
3beta,14beta-dihydroxy-6-oxo-A-norergosta-7,22-diene-4-oic acid delta-lactone (CHEBI:216488) is a prostanoid (CHEBI:26347)
IUPAC Name 
(1S,4S,7S,8S,12R,15R,16R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-4,12-dihydroxy-7,16-dimethyl-2-oxapentacyclo[9.7.0.01,7.04,8.012,16]octadec-10-ene-3,9-dione