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CHEBI:199254 - Myrothecol H

ChEBI IDCHEBI:199254
ChEBI NameMyrothecol H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILESC=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1C[C@@]1(O)CC(=O)C(CO)=CC1=O
InChIInChI=1S/C22H32O5/c1-14-5-6-18-20(2,13-24)7-4-8-21(18,3)16(14)10-22(27)11-17(25)15(12-23)9-19(22)26/h9,16,18,23-24,27H,1,4-8,10-13H2,2-3H3/t16-,18-,20-,21+,22+/m0/s1
InChIKeyTYJBCNJREWYSDL-WROXGLCASA-N
Species of MetaboliteComponentSourceComments
Myrotheciumspecies SC0265 (ncbitaxon:1539900) - PubMed (26023841)
ChEBI Ontology
Outgoing Relation(s)
Myrothecol H (CHEBI:199254) is a prenylquinone (CHEBI:26255)
IUPAC Name 
(5R)-5-[[(1S,4aR,5R,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-hydroxy-2-(hydroxymethyl)cyclohex-2-ene-1,4-dione
Manual XrefsDatabases
78436481ChemSpider