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brassicicene C

PropertiesImageOccurences in reactions
MNX_IDMNXM148976Image of MNXM148976
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
formulaC21H32O4
charge0
mass348.23006
referencemetacycM:CPD-16830
InChIKeyJYZGDIADQSQUAG-POPLHLQASA-N
InChIInChI=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
SMILESCOCC1(O)CC[C@@H]2/C1=C\[C@@H]1C(=C(C(C)C)C(=O)[C@H]1C)CC(O)[C@@H]2C
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-16830
metacycM:CPD-16830
seed.compound:cpd33908
seedM:cpd33908
brassicicene C
seedM:M_cpd33908 secondary/obsolete/fantasy identifier