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CHEBI:212175 - Neoverrucosan-5beta,9beta-diol-4-carboxaldehyde

ChEBI IDCHEBI:212175
ChEBI NameNeoverrucosan-5beta,9beta-diol-4-carboxaldehyde
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILESCC(C)[C@@H]1CC[C@@]2(C)[C@H]1[C@H]1[C@@H]3C[C@]3(C=O)[C@H](O)C[C@]1(C)C[C@@H]2O
InChIInChI=1S/C20H32O3/c1-11(2)12-5-6-19(4)14(22)8-18(3)9-15(23)20(10-21)7-13(20)17(18)16(12)19/h10-17,22-23H,5-9H2,1-4H3/t12-,13-,14-,15+,16+,17+,18-,19+,20+/m0/s1
InChIKeyQINJSZQKVPOZCC-MUOQQGGZSA-N
Species of MetaboliteComponentSourceComments
Saprospira (ncbitaxon:1007) - PubMed (12828468)
ChEBI Ontology
Outgoing Relation(s)
Neoverrucosan-5beta,9beta-diol-4-carboxaldehyde (CHEBI:212175) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2R,3S,6S,7S,9S,11R,12R,14S)-7,11-dihydroxy-6,9-dimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecane-12-carbaldehyde
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9209743ChemSpider