CDK 1018121544 29 31 0 0 0 0 0 0 0 0999 V2000 3.9708 -6.1042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9750 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 -5.3042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9750 -4.9000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2542 -6.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9625 -6.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6833 -5.3167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6875 -4.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6750 -6.1417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6792 -6.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -6.1125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2625 -6.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1083 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -6.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -6.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -4.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -6.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5500 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -4.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9792 -4.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4042 -4.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3875 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -6.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3792 -7.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 3 1 0 0 0 0 5 16 1 1 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 11 1 1 0 0 0 0 12 11 1 0 0 0 0 13 1 1 0 0 0 0 12 14 1 6 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 17 2 1 0 0 0 0 18 9 2 0 0 0 0 19 13 1 0 0 0 0 20 17 1 0 0 0 0 3 21 1 6 0 0 0 4 22 1 1 0 0 0 7 23 1 6 0 0 0 1 24 1 1 0 0 0 10 25 1 1 0 0 0 19 26 1 6 0 0 0 13 27 1 1 0 0 0 28 25 1 0 0 0 0 29 14 1 0 0 0 0 9 12 1 0 0 0 0 19 20 1 0 0 0 0 7 10 1 0 0 0 0 M END > CHEBI:69893 > (3S,4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-((E)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one > A natural product found in Pittocaulon velatum and Pittocaulon praecox. > 2 > C21H32O8 > 412.47400 > 412.20972 > 0 > C[C@H]1[C@H](O)CCC2=CC(=O)[C@@H](C[C@]12C)C(\C)=C\O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C21H32O8/c1-10(9-28-20-19(27)18(26)17(25)16(8-22)29-20)13-7-21(3)11(2)14(23)5-4-12(21)6-15(13)24/h6,9,11,13-14,16-20,22-23,25-27H,4-5,7-8H2,1-3H3/b10-9+/t11-,13-,14+,16+,17+,18-,19+,20+,21+/m0/s1 > LZALOOWTGZEYLC-CNIKGBBLSA-N > 21661732 $$$$