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CHEBI:214305 - Myrothecisin D

ChEBI IDCHEBI:214305
ChEBI NameMyrothecisin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O5
Net Charge0
Average Mass388.504
Monoisotopic Mass388.22497
SMILESC[C@@H]1CC[C@@H]2C(=CC[C@H](O)C2(C)C)[C@]1(C)Cc1c(O)cc(CO)c(C=O)c1O
InChIInChI=1S/C23H32O5/c1-13-5-6-17-18(7-8-20(27)22(17,2)3)23(13,4)10-15-19(26)9-14(11-24)16(12-25)21(15)28/h7,9,12-13,17,20,24,26-28H,5-6,8,10-11H2,1-4H3/t13-,17-,20+,23-/m1/s1
InChIKeyKCAICXOYUFVURO-OQAKAONOSA-N
Species of MetaboliteComponentSourceComments
Myrotheciumspecies OUCMDZ-2784 (ncbitaxon:1440508) - PubMed (30275406)
ChEBI Ontology
Outgoing Relation(s)
Myrothecisin D (CHEBI:214305) is a hydroxybenzaldehyde (CHEBI:24673)
IUPAC Name 
3-[[(1R,2R,4aR,6S)-6-hydroxy-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]methyl]-2,4-dihydroxy-6-(hydroxymethyl)benzaldehyde
Manual XrefsDatabases
71048916ChemSpider