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CHEBI:197705 - Neomangicol C

ChEBI IDCHEBI:197705
ChEBI NameNeomangicol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O5
Net Charge0
Average Mass416.558
Monoisotopic Mass416.25627
SMILESCC1=C2C[C@@]3(C)C[C@H](O)[C@](C)(C[C@H](O)[C@H](O)[C@@](C)(O)CO)[C@H]3c3ccc(C)c(c32)C1
InChIInChI=1S/C25H36O5/c1-13-6-7-15-20-16(13)8-14(2)17(20)9-23(3)11-19(28)24(4,21(15)23)10-18(27)22(29)25(5,30)12-26/h6-7,18-19,21-22,26-30H,8-12H2,1-5H3/t18-,19-,21-,22-,23-,24-,25-/m0/s1
InChIKeyPEQQQSBBJZXHSY-XUIKZYCZSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - DOI (10.1021/jo981226b)
ChEBI Ontology
Outgoing Relation(s)
Neomangicol C (CHEBI:197705) is a tetralins (CHEBI:36786)
IUPAC Name 
(2S,3S,4S)-5-[(2R,3R,4S,6S)-4-hydroxy-3,6,9,12-tetramethyl-3-tetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),8,11,13-tetraenyl]-2-methylpentane-1,2,3,4-tetrol
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8749348ChemSpider