brassicicene C
Chemical Formula:
C21H32O4
Molecular Weight:
348.481 Daltons
Monoisotopic Mass:
348.2300595156 Daltons
SMILES:
CC(C)C1(C(=O)C(C)[CH]3(C=1CC(O)C(C)[CH]2(CCC(O)(COC)C2=C3)))
InChI:
1S/C21H32O4/c1-11(2)19-16-9-18(22)12(3)14-6-7-21(24,10-25-5)17(14)8-15(16)13(4)20(19)23/h8,11-15,18,22,24H,6-7,9-10H2,1-5H3/b17-8+/t12-,13+,14+,15+,18?,21?/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-16830
PubChem (CID):
90658313
MetaNetX:
MNXM148976