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CHEBI:206640 - Mangicol B

ChEBI IDCHEBI:206640
ChEBI NameMangicol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H42O5
Net Charge0
Average Mass422.606
Monoisotopic Mass422.30322
SMILESC[C@H]1CC[C@@]23C1=C[C@@]1(C)CC[C@](C)(C[C@H](O)[C@H](O)[C@@](C)(O)CO)[C@H]1[C@@H]2C[C@@H](O)[C@@H]3C
InChIInChI=1S/C25H42O5/c1-14-6-7-25-15(2)18(27)10-16(25)20-22(3,11-17(14)25)8-9-23(20,4)12-19(28)21(29)24(5,30)13-26/h11,14-16,18-21,26-30H,6-10,12-13H2,1-5H3/t14-,15-,16-,18+,19-,20-,21-,22+,23+,24-,25-/m0/s1
InChIKeyYXAVEBXVQDZXAI-BRGZQTFFSA-N
Species of MetaboliteComponentSourceComments
Fusarium heterosporum (ncbitaxon:42747) - PubMed (10956462)
ChEBI Ontology
Outgoing Relation(s)
Mangicol B (CHEBI:206640) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(2S,3S,4S)-5-[(1R,2R,3R,5S,6R,7R,10R,13S)-3-hydroxy-2,7,10,13-tetramethyl-7-tetracyclo[10.3.0.01,5.06,10]pentadec-11-enyl]-2-methylpentane-1,2,3,4-tetrol
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