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CHEBI:203728 - Myrothecol F

ChEBI IDCHEBI:203728
ChEBI NameMyrothecol F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O7
Net Charge0
Average Mass410.507
Monoisotopic Mass410.23045
SMILESC=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CC1=C(O)C(=O)[C@](O)(CO)[C@H](O)[C@H]1O
InChIInChI=1S/C22H34O7/c1-12-5-6-15-20(2,10-23)7-4-8-21(15,3)14(12)9-13-16(25)18(27)22(29,11-24)19(28)17(13)26/h14-16,18,23-27,29H,1,4-11H2,2-3H3/t14-,15-,16-,18+,20-,21+,22-/m0/s1
InChIKeyAOFSOKCCOSPZSP-PJJTYRBESA-N
Species of MetaboliteComponentSourceComments
Myrotheciumspecies SC0265 (ncbitaxon:1539900) - PubMed (25089733)
ChEBI Ontology
Outgoing Relation(s)
Myrothecol F (CHEBI:203728) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4S,5R,6S)-3-[[(1S,4aR,5R,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2,4,5,6-tetrahydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one
Manual XrefsDatabases
58112238ChemSpider