Marvin 06150613092D 7 6 0 0 0 0 999 V2000 1.4289 0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 M END > CHEBI:43098 > heptane > A straight-chain alkane with seven carbon atoms. It has been found in Jeffrey pine (Pinus jeffreyi). > 3 > CHEBI:43095; CHEBI:32891 > n-heptane; heptane; Heptan; CH3-[CH2]5-CH3 > heptane > C7H16 > 100.20194 > 100.12520 > 0 > CCCCCCC > InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 > IMNFDUFMRHMDMM-UHFFFAOYSA-N > 1730763 > 142-82-5 > 49760 > 142-82-5 > CPD-9286 > 142-82-5 > HP6 > Heptane > 12226360; 23544797 $$$$