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4-ketotorulene

PropertiesImageOccurences in reactions
MNX_IDMNXM10209Image of MNXM10209
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
formulaC40H52O
charge0
mass548.40182
referencemetacycM:CPD-7952
InChIKeyPQLCIULTTLEVLF-DRTFDKPYSA-N
InChIInChI=1S/C40H52O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-38-37(8)39(41)29-30-40(38,9)10/h11-28H,29-30H2,1-10H3/b12-11+,20-13+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+
SMILESCC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)CCC1(C)C
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-7952
metacycM:CPD-7952
seed.compound:cpd24989
seedM:cpd24989
4-ketotorulene
seedM:M_cpd24989 secondary/obsolete/fantasy identifier