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CHEBI:226699 - Neomacrophorin VII

ChEBI IDCHEBI:226699
ChEBI NameNeomacrophorin VII
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O4
Net Charge0
Average Mass360.494
Monoisotopic Mass360.23006
SMILESC=C1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1C[C@]12O[C@H]1[C@H](O)C(C)=CC2=O
InChIInChI=1S/C22H32O4/c1-12-6-7-15-20(3,4)16(23)8-9-21(15,5)14(12)11-22-17(24)10-13(2)18(25)19(22)26-22/h10,14-16,18-19,23,25H,1,6-9,11H2,2-5H3/t14-,15-,16+,18+,19-,21+,22+/m0/s1
InChIKeyKPESYGLDZRDSQE-PUJGGSSQSA-N
Species of MetaboliteComponentSourceComments
Trichodermaspecies 1212-03 (ncbitaxon:1421414) - DOI (10.1016/j.tet.2019.04.018)
ChEBI Ontology
Outgoing Relation(s)
Neomacrophorin VII (CHEBI:226699) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1S,5R,6S)-1-[[(1S,4aR,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-hydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one