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CHEBI:217041 - Hyapyrroline B

ChEBI IDCHEBI:217041
ChEBI NameHyapyrroline B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H52NO6
Net Charge+1
Average Mass582.802
Monoisotopic Mass582.37891
SMILESCC1=C(CC(O)CC(O)/C=C\C=C\C(C)=C\C=C\C(C)C(O)C(C)CCc2ccccc2)[N+](C)(CCO)C(C)(O)C1=O
InChIInChI=1S/C35H52NO6/c1-25(14-12-15-26(2)33(40)27(3)19-20-29-16-8-7-9-17-29)13-10-11-18-30(38)23-31(39)24-32-28(4)34(41)35(5,42)36(32,6)21-22-37/h7-18,26-27,30-31,33,37-40,42H,19-24H2,1-6H3/q+1/b13-10+,15-12+,18-11-,25-14+
InChIKeyGDLRFVXNBXDBFG-KGTPWNFGSA-N
Species of MetaboliteComponentSourceComments
Hyalangium (ncbitaxon:224455) - PubMed (24848583)
ChEBI Ontology
Outgoing Relation(s)
Hyapyrroline B (CHEBI:217041) is a benzenes (CHEBI:22712)
IUPAC Name 
2-hydroxy-1-(2-hydroxyethyl)-1,2,4-trimethyl-5-[(5Z,7E,9E,11E)-2,4,14-trihydroxy-9,13,15-trimethyl-17-phenylheptadeca-5,7,9,11-tetraenyl]pyrrol-1-ium-3-one
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34217214ChemSpider