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CHEBI:221272 - Sandacrabin A

ChEBI IDCHEBI:221272
ChEBI NameSandacrabin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H56N2
Net Charge0
Average Mass540.880
Monoisotopic Mass540.44435
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/Cn1c(/C=C(\C)CC/C=C(\C)CCC=C(C)C)nc2cc(C)c(C)cc21
InChIInChI=1S/C38H56N2/c1-28(2)15-11-17-30(5)19-13-21-32(7)23-24-40-37-27-35(10)34(9)26-36(37)39-38(40)25-33(8)22-14-20-31(6)18-12-16-29(3)4/h15-16,19-20,23,25-27H,11-14,17-18,21-22,24H2,1-10H3/b30-19+,31-20+,32-23+,33-25+
InChIKeyPJRLZRCGNSYNKT-ZGUGJXLVSA-N
ChEBI Ontology
Outgoing Relation(s)
Sandacrabin A (CHEBI:221272) is a sesquiterpenoid (CHEBI:26658)