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CHEBI:210252 - Mangicol C

ChEBI IDCHEBI:210252
ChEBI NameMangicol C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O4
Net Charge0
Average Mass404.591
Monoisotopic Mass404.29266
SMILESC[C@H]1C[C@@H](O)[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/C25H40O4/c1-14-11-19(27)25-15(2)7-8-16(25)20-23(5,12-17(14)25)9-10-24(20,6)13-18(26)21(28)22(3,4)29/h12,14-16,18-20,26-27,29H,7-11,13H2,1-6H3/t14-,15-,16-,18-,19+,20-,23+,24+,25+/m0/s1
InChIKeyIDMQOGKKDALVSS-DPCGLICRSA-N
Species of MetaboliteComponentSourceComments
Fusarium heterosporum (ncbitaxon:42747) - PubMed (10956462)
ChEBI Ontology
Outgoing Relation(s)
Mangicol C (CHEBI:210252) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(2S)-2,4-dihydroxy-1-[(1R,2S,5S,6R,7R,10R,13S,15R)-15-hydroxy-2,7,10,13-tetramethyl-7-tetracyclo[10.3.0.01,5.06,10]pentadec-11-enyl]-4-methylpentan-3-one
Manual XrefsDatabases
78437415ChemSpider