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CHEBI:209618 - Niduterpenoid A

ChEBI IDCHEBI:209618
ChEBI NameNiduterpenoid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O4
Net Charge0
Average Mass404.591
Monoisotopic Mass404.29266
SMILESC[C@H]1[C@@H]2[C@H]3[C@]4(C)[C@@H](O)C[C@@H]([C@](C)(O)CO)[C@]34C[C@@H]2[C@@]23CC[C@](C)(O)C2CC[C@@]13C
InChIInChI=1S/C25H40O4/c1-13-18-14(24-9-8-21(3,28)15(24)6-7-20(13,24)2)11-25-16(22(4,29)12-26)10-17(27)23(25,5)19(18)25/h13-19,26-29H,6-12H2,1-5H3/t13-,14-,15?,16-,17-,18-,19-,20-,21-,22+,23-,24-,25+/m0/s1
InChIKeyKIMRNGSVPSLPMD-OANSDUNDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nidulans (ncbitaxon:162425) - PubMed (30865467)
ChEBI Ontology
Outgoing Relation(s)
Niduterpenoid A (CHEBI:209618) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,2S,5S,9S,10S,11S,12R,13S,14S,16R,17S)-16-[(2S)-1,2-dihydroxypropan-2-yl]-5,9,10,13-tetramethylhexacyclo[9.7.0.02,6.02,9.012,17.013,17]octadecane-5,14-diol