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CHEBI:217470 - 3,5-Dihydro-3alpha-hydroxy ML-236C

ChEBI IDCHEBI:217470
ChEBI Name3,5-Dihydro-3alpha-hydroxy ML-236C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28O4
Net Charge0
Average Mass308.418
Monoisotopic Mass308.19876
SMILESC[C@@H]1[C@H](CC[C@@H]2C[C@@H](O)CC(=O)O2)[C@H]2CCCCC2=C[C@H]1O
InChIInChI=1S/C18H28O4/c1-11-15(7-6-14-9-13(19)10-18(21)22-14)16-5-3-2-4-12(16)8-17(11)20/h8,11,13-17,19-20H,2-7,9-10H2,1H3/t11-,13-,14-,15+,16+,17-/m1/s1
InChIKeyMBZWOJPMRBYBGN-RLVGIJBXSA-N
Species of MetaboliteComponentSourceComments
Penicillium javanicum (ncbitaxon:28578) - PubMed (15387665)
ChEBI Ontology
Outgoing Relation(s)
3,5-Dihydro-3alpha-hydroxy ML-236C (CHEBI:217470) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(4R,6R)-6-[2-[(1R,2R,3S,8aR)-3-hydroxy-2-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one
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78441358ChemSpider