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CHEBI:207010 - Kalihinol J

ChEBI IDCHEBI:207010
ChEBI NameKalihinol J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H35ClN2O3S
Net Charge0
Average Mass443.053
Monoisotopic Mass442.20569
SMILESCC1(C)O[C@@](C)([C@H]2CC[C@@](C)(N=C=S)[C@H]3CC[C@@](C)(O)[C@H](NC=O)[C@@H]32)CC[C@@H]1Cl
InChIInChI=1S/C22H35ClN2O3S/c1-19(2)16(23)8-11-22(5,28-19)15-6-9-20(3,25-13-29)14-7-10-21(4,27)18(17(14)15)24-12-26/h12,14-18,27H,6-11H2,1-5H3,(H,24,26)/t14-,15-,16-,17-,18+,20+,21+,22+/m0/s1
InChIKeyJJCHVOBKBZMVBH-JJAPNAJXSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - DOI (10.1016/j.tet.2003.08.082)
ChEBI Ontology
Outgoing Relation(s)
Kalihinol J (CHEBI:207010) is a diterpenoid (CHEBI:23849)
IUPAC Name 
N-[(1R,2R,4aS,5R,8S,8aS)-8-[(2R,5S)-5-chloro-2,6,6-trimethyloxan-2-yl]-2-hydroxy-5-isothiocyanato-2,5-dimethyl-1,3,4,4a,6,7,8,8a-octahydronaphthalen-1-yl]ormamide
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8179081ChemSpider