Mrv1652309122216202D 18 20 0 0 1 0 999 V2000 2.6689 1.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6813 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7203 -0.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0145 -0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7503 -0.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4624 0.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3723 0.4627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4138 1.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3142 -1.3689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5293 -2.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5169 -1.1570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4466 -1.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6952 -1.2305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3018 -0.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5053 -0.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7173 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 1 0 0 0 4 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 6 0 0 0 13 16 1 0 0 0 0 2 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 16 18 1 0 0 0 0 M END > NP0329705 > NP-MRD > CC1=C2[C@@H](O)C(C)(C)C=C2[C@H](O)[C@](C)(O)C11CC1 > InChI=1S/C15H22O3/c1-8-10-9(7-13(2,3)12(10)17)11(16)14(4,18)15(8)5-6-15/h7,11-12,16-18H,5-6H2,1-4H3/t11-,12+,14-/m0/s1 > MBTBAQPUVNSQEB-SCRDCRAPSA-N > C15H22O3 > 250.338 > 250.156894568 > 3 > 40 > 28.000519947793002 > 1 > 3 > 0 > 1 > (3'S,6'R,7'S)-2',2',4',6'-tetramethyl-2',3',6',7'-tetrahydrospiro[cyclopropane-1,5'-indene]-3',6',7'-triol > 0.4207676313333327 > 0 > 3 > 0 > 13.961326991127553 > 13.071498692324436 > -3.226411518967974 > 60.69 > 70.4519 > 0 > 1 > (3'S,6'R,7'S)-2',2',4',6'-tetramethyl-3',7'-dihydrospiro[cyclopropane-1,5'-indene]-3',6',7'-triol > 0 > NP0329705 > (3's,6'r,7's)-2',2',4',6'-tetramethyl-3',7'-dihydrospiro[cyclopropane-1,5'-indene]-3',6',7'-triol $$$$