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CHEBI:208443 - Neoverrucosan-5beta,18-diol

ChEBI IDCHEBI:208443
ChEBI NameNeoverrucosan-5beta,18-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O2
Net Charge0
Average Mass306.490
Monoisotopic Mass306.25588
SMILESCC(C)[C@@H]1CC[C@]2(C)CC[C@@]3(C)C[C@@H](O)[C@@]4(CO)C[C@H]4[C@@H]3[C@@H]12
InChIInChI=1S/C20H34O2/c1-12(2)13-5-6-18(3)7-8-19(4)10-15(22)20(11-21)9-14(20)17(19)16(13)18/h12-17,21-22H,5-11H2,1-4H3/t13-,14-,15+,16+,17+,18+,19-,20+/m0/s1
InChIKeyASNUGHAOSOQWKY-LPNYPJOASA-N
Species of MetaboliteComponentSourceComments
Saprospira (ncbitaxon:1007) - PubMed (12828468)
ChEBI Ontology
Outgoing Relation(s)
Neoverrucosan-5beta,18-diol (CHEBI:208443) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2R,3S,6R,9S,11R,12S,14S)-12-(hydroxymethyl)-6,9-dimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecan-11-ol
Manual XrefsDatabases
10008385ChemSpider