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CHEBI:209624 - Niduterpenoid B

ChEBI IDCHEBI:209624
ChEBI NameNiduterpenoid B
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)(C)O)[C@]34C[C@@H]2[C@@]23CC[C@](C)(O)C2C[C@H](O)[C@@]13C
InChIInChI=1S/C25H40O4/c1-12-18-13(24-8-7-21(4,29)15(24)10-16(26)22(12,24)5)11-25-14(20(2,3)28)9-17(27)23(25,6)19(18)25/h12-19,26-29H,7-11H2,1-6H3/t12-,13-,14-,15?,16-,17-,18-,19-,21-,22+,23-,24-,25+/m0/s1
InChIKeyPTGRSEKFBBYBMB-NJHNOLDWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nidulans (ncbitaxon:162425) - PubMed (30865467)
ChEBI Ontology
Outgoing Relation(s)
Niduterpenoid B (CHEBI:209624) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,2S,5S,8S,9S,10S,11S,12R,13S,14S,16R,17S)-16-(2-hydroxypropan-2-yl)-5,9,10,13-tetramethylhexacyclo[9.7.0.02,6.02,9.012,17.013,17]octadecane-5,8,14-triol