Mrv1533004231523212D 64 68 0 0 0 0 999 V2000 10.2417 -1.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4522 -1.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0373 -0.3023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0606 -1.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4584 -0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6689 -1.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0668 -0.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 0.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0435 0.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6457 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4351 0.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8795 -1.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0900 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9027 -2.3035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1133 -2.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5111 -1.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 -3.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1365 -3.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5343 -3.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7756 -2.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0836 -3.7131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7216 -2.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2195 -1.5608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1195 -1.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6216 -2.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3067 -0.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0962 -0.6117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7046 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9151 -0.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7278 -1.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1427 -2.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7449 -3.2617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5576 -4.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3533 -2.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -3.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2489 -2.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0384 -2.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0616 -1.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8918 0.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6813 0.7557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2897 1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5309 1.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8389 0.3891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 1.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2664 2.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4537 2.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2432 3.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 2.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 1.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8453 2.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6348 2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8221 3.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2370 2.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0497 1.4743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2602 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0729 0.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6751 -0.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4646 0.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4878 -0.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6984 -1.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8624 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6519 0.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 18 16 1 4 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 31 40 1 0 0 0 0 29 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 49 48 1 4 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 51 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 8 60 1 0 0 0 0 59 61 1 0 0 0 0 14 61 1 0 0 0 0 61 62 1 0 0 0 0 57 63 1 0 0 0 0 63 64 1 0 0 0 0 M END > NP0262992 > NP-MRD > CCC(O)CC1OC2(CCC1C)CC1OC(=O)C=CC(C)(O)C(O)C(C)C(O)C(OC3CC(OC)C(O)C(C)O3)C(O)C(C)(O)CCCC=CC3CC(C)COC3(CC(O2)C1C)OC > InChI=1S/C48H82O16/c1-11-33(49)22-34-28(3)16-20-47(63-34)24-36-29(4)37(64-47)25-48(58-10)32(21-27(2)26-59-48)15-13-12-14-18-45(7,55)44(54)42(62-39-23-35(57-9)41(52)31(6)60-39)40(51)30(5)43(53)46(8,56)19-17-38(50)61-36/h13,15,17,19,27-37,39-44,49,51-56H,11-12,14,16,18,20-26H2,1-10H3 > LJKNWVYWRGRCGM-UHFFFAOYSA-N > C48H82O16 > 915.168 > 914.56028656 > 15 > 146 > 99.88507018849255 > 0 > 7 > 0 > 0 > 14',15',17',19',20'-pentahydroxy-16'-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-(2-hydroxybutyl)-3'-methoxy-5,6',14',18',20',29'-hexamethyl-4',24',28'-trioxaspiro[oxane-2,27'-tricyclo[23.3.1.0³,⁸]nonacosane]-9',21'-dien-23'-one > 3.44 > 4.570914067333332 > -4.47 > 1 > 5 > 0 > 13.107516157409453 > 12.624457294607645 > -2.717403133195276 > 232.51999999999992 > 236.50500000000005 > 7 > 0 > 3.11e-02 g/l > 14',15',17',19',20'-pentahydroxy-16'-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-(2-hydroxybutyl)-3'-methoxy-5,6',14',18',20',29'-hexamethyl-4',24',28'-trioxaspiro[oxane-2,27'-tricyclo[23.3.1.0³,⁸]nonacosane]-9',21'-dien-23'-one > 0 > NP0262992 > 14',15',17',19',20'-pentahydroxy-16'-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-(2-hydroxybutyl)-3'-methoxy-5,6',14',18',20',29'-hexamethyl-4',24',28'-trioxaspiro[oxane-2,27'-tricyclo[23.3.1.0³,⁸]nonacosane]-9',21'-dien-23'-one $$$$