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CHEBI:207880 - Emeniveol

ChEBI IDCHEBI:207880
ChEBI NameEmeniveol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO
Net Charge0
Average Mass405.626
Monoisotopic Mass405.30316
SMILESC=C1[C@H](Cc2cnc3ccccc23)CC[C@H]2[C@](C)(CCC=C(C)C)[C@@H](O)CC[C@]12C
InChIInChI=1S/C28H39NO/c1-19(2)9-8-15-28(5)25-13-12-21(20(3)27(25,4)16-14-26(28)30)17-22-18-29-24-11-7-6-10-23(22)24/h6-7,9-11,18,21,25-26,29-30H,3,8,12-17H2,1-2,4-5H3/t21-,25+,26-,27+,28-/m0/s1
InChIKeyMPNUEXKJZLBKEI-ADNQPUJWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus neoniveus (ncbitaxon:1470541) - DOI (10.1016/s0040-4039(00)60913-9)
ChEBI Ontology
Outgoing Relation(s)
Emeniveol (CHEBI:207880) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2S,4aS,6S,8aR)-6-(1H-indol-3-ylmethyl)-1,4a-dimethyl-5-methylidene-1-(4-methylpent-3-enyl)-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-ol
Manual XrefsDatabases
9070034ChemSpider