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CHEBI:217947 - Penitanzchroman

ChEBI IDCHEBI:217947
ChEBI NamePenitanzchroman
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36O5
Net Charge0
Average Mass476.613
Monoisotopic Mass476.25627
SMILESCOc1cc(O)c(C)c2c1[C@H](Cc1ccc3c(c1/C=C/C=C/C(=O)O)[C@H](C)C[C@H](C)C3)O[C@@H](C)C2
InChIInChI=1S/C30H36O5/c1-17-12-18(2)29-22(13-17)11-10-21(23(29)8-6-7-9-28(32)33)15-27-30-24(14-19(3)35-27)20(4)25(31)16-26(30)34-5/h6-11,16-19,27,31H,12-15H2,1-5H3,(H,32,33)/b8-6+,9-7+/t17-,18+,19-,27-/m0/s1
InChIKeyPCZHORHNIXOHBF-POZHDQSUSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29778575)
ChEBI Ontology
Outgoing Relation(s)
Penitanzchroman (CHEBI:217947) is a tetralins (CHEBI:36786)
IUPAC Name 
(2E,4E)-5-[(6S,8R)-2-[[(1S,3S)-6-hydroxy-8-methoxy-3,5-dimethyl-3,4-dihydro-1H-isochromen-1-yl]methyl]-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]penta-2,4-dienoic acid