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CHEBI:214171 - Mangicol F

ChEBI IDCHEBI:214171
ChEBI NameMangicol F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O3
Net Charge0
Average Mass388.592
Monoisotopic Mass388.29775
SMILESC[C@H]1CC[C@@]23C1=C[C@@]1(C)CC[C@](C)(C[C@H](O)C(=O)C(C)(C)O)[C@H]1[C@@H]2CC[C@@H]3C
InChIInChI=1S/C25H40O3/c1-15-9-10-25-16(2)7-8-17(25)20-23(5,13-18(15)25)11-12-24(20,6)14-19(26)21(27)22(3,4)28/h13,15-17,19-20,26,28H,7-12,14H2,1-6H3/t15-,16-,17-,19-,20-,23+,24+,25-/m0/s1
InChIKeyOWRYVHDLTBKQPH-BDARXFGFSA-N
Species of MetaboliteComponentSourceComments
Fusarium heterosporum (ncbitaxon:42747) - PubMed (10956462)
ChEBI Ontology
Outgoing Relation(s)
Mangicol F (CHEBI:214171) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(2S)-2,4-dihydroxy-4-methyl-1-[(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
10478284ChemSpider