CDK 1030232200 24 27 0 0 0 0 0 0 0 0999 V2000 2.4015 2.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4619 1.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8317 0.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1630 0.8615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6889 1.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9662 0.0604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9245 0.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 -0.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0035 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6279 -0.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 -0.7429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4099 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7178 -1.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2836 -1.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7174 -2.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2885 -2.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4317 -2.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0028 -2.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5738 -2.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0024 -3.5893 0.0000 C 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 4 2 1 0 0 0 0 5 3 1 6 0 0 0 4 6 1 6 0 0 0 7 4 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 10 5 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 6 0 0 0 13 8 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 6 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 20 23 1 0 0 0 0 22 24 1 0 0 0 0 5 7 1 0 0 0 0 13 9 1 1 0 0 0 13 16 1 0 0 0 0 20 22 1 0 0 0 0 M END > CHEBI:209338 > Peyronellone B > 2 > (1R,2R,9R,11R)-11-[(2R)-butan-2-yl]-1,5,7-trihydroxy-2,6-dimethyl-10,12-dioxatetracyclo[7.4.1.02,11.03,8]tetradeca-3,5,7-trien-13-one > C18H22O6 > 334.368 > 334.14164 > 0 > O=C1O[C@]2(O[C@@H]3C[C@@]1(O)[C@]2(C4=C3C(O)=C(C)C(=C4)O)C)[C@@H](CC)C > InChI=1S/C18H22O6/c1-5-8(2)18-16(4)10-6-11(19)9(3)14(20)13(10)12(23-18)7-17(16,22)15(21)24-18/h6,8,12,19-20,22H,5,7H2,1-4H3/t8-,12-,16-,17+,18-/m1/s1 > RHIUTYRDTYSZNQ-BDGDQTGGSA-N $$$$