CDK 1018121544 42 48 0 0 0 0 0 0 0 0999 V2000 7.2652 -4.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -5.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9789 -5.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9771 -4.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6925 -4.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6959 -5.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4111 -5.9130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4043 -4.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1241 -4.6696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1300 -5.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9170 -5.7449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3977 -5.0735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9076 -4.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2194 -5.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6363 -5.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4606 -5.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6239 -4.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4468 -4.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8713 -5.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6773 -4.8694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7510 -4.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9905 -3.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4089 -6.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4036 -7.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8309 -6.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8292 -7.5468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1153 -7.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2882 -8.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1090 -8.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4432 -8.0979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9794 -6.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2652 -7.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6942 -7.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5493 -5.9184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5507 -4.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9746 -3.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6879 -3.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 -3.8417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2658 -7.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5516 -8.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5505 -6.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 4 2 0 0 0 0 4 1 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 18 1 0 0 0 0 5 6 1 0 0 0 0 10 23 1 0 0 0 0 23 24 2 0 0 0 0 2 3 1 0 0 0 0 24 25 1 0 0 0 0 25 28 2 0 0 0 0 10 11 1 0 0 0 0 27 26 2 0 0 0 0 26 23 1 0 0 0 0 27 28 1 0 0 0 0 12 11 1 0 0 0 0 12 13 1 0 0 0 0 13 9 1 0 0 0 0 3 6 2 0 0 0 0 1 2 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 27 1 0 0 0 0 14 15 2 0 0 0 0 3 32 1 0 0 0 0 5 8 1 0 0 0 0 32 33 1 0 0 0 0 15 16 1 0 0 0 0 32 34 2 0 0 0 0 16 19 2 0 0 0 0 2 35 1 0 0 0 0 6 7 1 0 0 0 0 1 36 1 0 0 0 0 18 17 2 0 0 0 0 4 37 1 0 0 0 0 17 14 1 0 0 0 0 37 38 1 0 0 0 0 12 14 1 1 0 0 0 9 39 1 6 0 0 0 18 19 1 0 0 0 0 7 10 1 0 0 0 0 33 40 1 0 0 0 0 9 8 1 0 0 0 0 40 41 1 0 0 0 0 9 10 1 0 0 0 0 33 42 1 0 0 0 0 M END > CHEBI:70397 > hyperaspidinol B > A natural product found in Hypericum chinense. > 2 > C32H32O9 > 560.59110 > 560.20463 > 0 > [H][C@]12C[C@H](OC1(Oc1c(C2)c(OC)c(C)c(O)c1C(=O)C(C)CC)c1ccc2OCOc2c1)c1ccc2OCOc2c1 > InChI=1S/C32H32O9/c1-5-16(2)28(33)27-29(34)17(3)30(35-4)21-11-20-13-24(18-6-8-22-25(10-18)38-14-36-22)40-32(20,41-31(21)27)19-7-9-23-26(12-19)39-15-37-23/h6-10,12,16,20,24,34H,5,11,13-15H2,1-4H3/t16?,20-,24-,32?/m0/s1 > QQKWQUVKXGHNEF-PJSQIOKLSA-N > 21043475 $$$$