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CHEBI:205106 - Neoverrucosan-5beta,9beta-diol

ChEBI IDCHEBI:205106
ChEBI NameNeoverrucosan-5beta,9beta-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O2
Net Charge0
Average Mass306.490
Monoisotopic Mass306.25588
SMILESCC(C)[C@@H]1CC[C@@]2(C)[C@H]1[C@H]1[C@@H]3C[C@]3(C)[C@H](O)C[C@]1(C)C[C@@H]2O
InChIInChI=1S/C20H34O2/c1-11(2)12-6-7-19(4)14(21)9-18(3)10-15(22)20(5)8-13(20)17(18)16(12)19/h11-17,21-22H,6-10H2,1-5H3/t12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1
InChIKeyAETSXIGZEHSKGX-OUBCPKIQSA-N
Species of MetaboliteComponentSourceComments
Saprospira (ncbitaxon:1007) - PubMed (12828468)
ChEBI Ontology
Outgoing Relation(s)
Neoverrucosan-5beta,9beta-diol (CHEBI:205106) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2R,3S,6S,7S,9R,11R,12S,14S)-6,9,12-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecane-7,11-diol
Manual XrefsDatabases
9263249ChemSpider