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CHEBI:226718 - Premacrophorintriol-I

ChEBI IDCHEBI:226718
ChEBI NamePremacrophorintriol-I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O5
Net Charge0
Average Mass378.509
Monoisotopic Mass378.24062
SMILESCC(=CC[C@]12O[C@H]1[C@H](O)C(C)=CC2=O)CCC=C(C)CCC(O)C(C)(C)O
InChIInChI=1S/C22H34O5/c1-14(9-10-17(23)21(4,5)26)7-6-8-15(2)11-12-22-18(24)13-16(3)19(25)20(22)27-22/h7,11,13,17,19-20,23,25-26H,6,8-10,12H2,1-5H3/t17?,19-,20+,22-/m1/s1
InChIKeySQKDOTYACJMOID-UXGKSEPASA-N
Species of MetaboliteComponentSourceComments
Trichodermaspecies 1212-03 (ncbitaxon:1421414) - DOI (10.1016/j.tet.2019.04.018)
ChEBI Ontology
Outgoing Relation(s)
Premacrophorintriol-I (CHEBI:226718) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,5R,6S)-1-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-5-hydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one