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CHEBI:221280 - Sandacrabin C

ChEBI IDCHEBI:221280
ChEBI NameSandacrabin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H61N2
Net Charge+1
Average Mass569.942
Monoisotopic Mass569.48293
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/Cn1c(C)[n+](C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c2cc(C)c(C)cc21
InChIInChI=1S/C40H61N2/c1-30(2)16-12-18-32(5)20-14-22-34(7)24-26-41-38(11)42(40-29-37(10)36(9)28-39(40)41)27-25-35(8)23-15-21-33(6)19-13-17-31(3)4/h16-17,20-21,24-25,28-29H,12-15,18-19,22-23,26-27H2,1-11H3/q+1/b32-20+,33-21+,34-24+,35-25+
InChIKeyRNJPEWPNLDDJRC-KHUAHTNFSA-N
ChEBI Ontology
Outgoing Relation(s)
Sandacrabin C (CHEBI:221280) is a sesquiterpenoid (CHEBI:26658)