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CHEBI:197778 - Magnicol E

ChEBI IDCHEBI:197778
ChEBI NameMagnicol E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O4
Net Charge0
Average Mass404.591
Monoisotopic Mass404.29266
SMILESC[C@H]1CC[C@@]23C1=C[C@@]1(C)CC[C@](C)(C[C@H](O)C(=O)C(C)(O)CO)[C@H]1[C@@H]2CC[C@@H]3C
InChIInChI=1S/C25H40O4/c1-15-8-9-25-16(2)6-7-17(25)20-22(3,12-18(15)25)10-11-23(20,4)13-19(27)21(28)24(5,29)14-26/h12,15-17,19-20,26-27,29H,6-11,13-14H2,1-5H3/t15-,16-,17-,19-,20-,22+,23+,24?,25-/m0/s1
InChIKeyWCMVXSJCZKPSHR-SOHPHPDSSA-N
Species of MetaboliteComponentSourceComments
Fusarium heterosporum (ncbitaxon:42747) - PubMed (10956462)
ChEBI Ontology
Outgoing Relation(s)
Magnicol E (CHEBI:197778) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(4S)-1,2,4-trihydroxy-2-methyl-5-[(1S,2S,5S,6R,7R,10R,13S)-2,7,10,13-tetramethyl-7-tetracyclo[10.3.0.01,5.06,10]pentadec-11-enyl]pentan-3-one
Manual XrefsDatabases
10478286ChemSpider