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CHEBI:221277 - Sandacrabin B

ChEBI IDCHEBI:221277
ChEBI NameSandacrabin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H59N2
Net Charge+1
Average Mass555.915
Monoisotopic Mass555.46728
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/Cn1c[n+](C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c2cc(C)c(C)cc21
InChIInChI=1S/C39H59N2/c1-30(2)15-11-17-32(5)19-13-21-34(7)23-25-40-29-41(39-28-37(10)36(9)27-38(39)40)26-24-35(8)22-14-20-33(6)18-12-16-31(3)4/h15-16,19-20,23-24,27-29H,11-14,17-18,21-22,25-26H2,1-10H3/q+1/b32-19+,33-20+,34-23+,35-24+
InChIKeyYZHJCHSSHLAQJD-ZYFHFIPJSA-N
ChEBI Ontology
Outgoing Relation(s)
Sandacrabin B (CHEBI:221277) is a sesquiterpenoid (CHEBI:26658)