Mrv1533004171503022D 13 12 0 0 0 0 999 V2000 -2.5263 0.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8118 -0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3829 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3316 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 3 0 0 0 0 4 5 1 0 0 0 0 5 6 3 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 M END > NP0193464 > NP-MRD > OCC#CC#CCCCCCC=C > InChI=1S/C12H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2,13H,1,3-7,12H2 > LGNSCSQFQCDGPG-UHFFFAOYSA-N > C12H16O > 176.259 > 176.120115135 > 1 > 29 > 22.406847699035332 > 1 > 1 > 0 > 1 > dodec-11-en-2,4-diyn-1-ol > 3.65 > 3.3832040690000005 > -4.13 > 0 > 0 > 0 > 12.708955487380528 > -3.8009028698197573 > 20.23 > 57.555800000000005 > 8 > 1 > 1.32e-02 g/l > dodec-11-en-2,4-diyn-1-ol > 1 > NP0193464 > dodec-11-en-2,4-diyn-1-ol $$$$