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CHEBI:227231 - Stachybotrin G

ChEBI IDCHEBI:227231
ChEBI NameStachybotrin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H39N2O5S
Net Charge+1
Average Mass503.685
Monoisotopic Mass503.25742
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc2c(c1OS(=O)(=O)O)C[N+]1=C2NCCCC1
InChIInChI=1S/C27H38N2O5S/c1-19(2)9-7-10-20(3)11-8-12-21(4)13-14-22-25(30)17-23-24(26(22)34-35(31,32)33)18-29-16-6-5-15-28-27(23)29/h9,11,13,17H,5-8,10,12,14-16,18H2,1-4H3,(H2,30,31,32,33)/p+1/b20-11+,21-13+
InChIKeyNRWFTFPFIOQEDM-VZLKJUJQSA-O
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - DOI (10.1016/j.tetlet.2015.11.029)
ChEBI Ontology
Outgoing Relation(s)
Stachybotrin G (CHEBI:227231) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[10-hydroxy-9-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,2,3,4,5,7-hexahydro-[1,3]diazepino[2,1-a]isoindol-6-ium-8-yl] hydrogen sulate