Mrv1652309092213002D 22 24 0 0 1 0 999 V2000 2.0737 1.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6618 1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4382 1.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1404 1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2395 0.2556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6609 -0.3326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8404 -0.2469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3957 0.4480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5974 0.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5487 -0.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3169 -0.8846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1064 -1.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8901 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4596 -0.5395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6095 -1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2732 -0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7983 -0.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6119 -0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1370 0.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9506 0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8484 1.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0348 1.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 4 1 6 0 0 0 6 5 1 1 0 0 0 7 6 1 6 0 0 0 7 8 1 0 0 0 0 2 8 1 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 1 0 0 0 6 14 1 0 0 0 0 5 14 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 6 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 M END > NP0283660 > NP-MRD > C\C(C=O)=C\C=C\[C@@]1(C)[C@H]2CCC(=C)[C@@H]3CC[C@](C)(O)[C@H]3[C@H]12 > InChI=1S/C20H28O2/c1-13(12-21)6-5-10-19(3)16-8-7-14(2)15-9-11-20(4,22)17(15)18(16)19/h5-6,10,12,15-18,22H,2,7-9,11H2,1,3-4H3/b10-5+,13-6-/t15-,16-,17+,18+,19-,20-/m0/s1 > OAIHJXPEYJVLCP-WFFUCKKXSA-N > C20H28O2 > 300.442 > 300.208930142 > 2 > 50 > 35.43053314419639 > 1 > 1 > 0 > 1 > (2Z,4E)-5-[(1S,1aS,4aR,7S,7aR,7bR)-7-hydroxy-1,7-dimethyl-4-methylidene-decahydro-1H-cyclopropa[e]azulen-1-yl]-2-methylpenta-2,4-dienal > 3.161725573000001 > 0 > 3 > 0 > 19.99637638687066 > -0.6132421645185316 > 37.3 > 92.08849999999998 > 3 > 1 > (2Z,4E)-5-[(1S,1aS,4aR,7S,7aR,7bR)-7-hydroxy-1,7-dimethyl-4-methylidene-octahydrocyclopropa[e]azulen-1-yl]-2-methylpenta-2,4-dienal > 1 > NP0283660 > (2z,4e)-5-[(1s,1as,4ar,7s,7ar,7br)-7-hydroxy-1,7-dimethyl-4-methylidene-octahydrocyclopropa[e]azulen-1-yl]-2-methylpenta-2,4-dienal $$$$