Mrv0541 02241208352D 95103 0 0 0 0 999 V2000 0.3568 -1.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3568 -2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 -2.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 -3.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3568 -4.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -3.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -2.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7866 -2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5003 -2.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5003 -3.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7866 -4.1247 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 3.2153 -2.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2153 -1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5003 -1.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5003 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7866 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7866 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 2.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3568 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3568 3.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 3.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -1.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2153 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2153 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2153 -4.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 -3.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -4.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -4.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 -5.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2153 -4.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 -6.1871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -6.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3588 -6.1871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0723 -6.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7872 -6.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5009 -6.5995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 -7.8369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3588 -7.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0723 -7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7872 -7.8369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3568 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3568 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0718 2.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3588 -5.3621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3588 -8.6619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0718 -4.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7867 -3.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7867 -2.8872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5002 -2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5002 -1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2152 -1.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5002 -4.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5002 -4.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2152 -3.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2152 -2.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9287 -2.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9287 -4.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0718 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0718 4.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 4.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3568 4.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3568 5.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 6.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 7.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7866 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5003 7.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2153 7.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7866 5.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5003 6.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2153 5.7747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 6.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7866 8.2495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5003 8.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5002 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2152 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9287 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9287 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6437 1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6437 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3586 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0722 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7872 2.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3586 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0722 1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7872 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5009 1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3586 3.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0722 3.7122 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 53 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 22 67 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 28 29 2 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 41 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 43 1 0 0 0 0 38 39 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 52 1 0 0 0 0 43 44 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 65 1 0 0 0 0 48 49 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 54 60 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 62 1 0 0 0 0 57 58 1 0 0 0 0 58 82 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 61 64 1 0 0 0 0 62 63 1 0 0 0 0 66 67 2 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 70 75 1 0 0 0 0 71 72 1 0 0 0 0 72 73 2 0 0 0 0 72 79 1 0 0 0 0 73 74 1 0 0 0 0 73 76 1 0 0 0 0 75 76 2 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 79 80 1 0 0 0 0 81 82 2 0 0 0 0 82 83 1 0 0 0 0 83 84 2 0 0 0 0 84 85 1 0 0 0 0 85 86 2 0 0 0 0 85 90 1 0 0 0 0 86 87 1 0 0 0 0 87 88 2 0 0 0 0 87 94 1 0 0 0 0 88 89 1 0 0 0 0 88 91 1 0 0 0 0 90 91 2 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 94 95 1 0 0 0 0 M CHG 1 11 1 M END > CHEM034298 > chemdb > COC1=CC(\C=C\C(=O)OCC2OC(OCC3OC(OC4=CC5=C(O)C=C(OC6OC(COC(=O)\C=C\C7=CC(OC)=C(O)C(OC)=C7)C(O)C(O)C6O)C=C5[O+]=C4C4=CC=C(O)C(OC5OC(CO)C(O)C(O)C5O)=C4)C(O)C(O)C3O)C(O)C(O)C2O)=CC(OC)=C1O > InChI=1S/C61H70O34/c1-81-32-11-23(12-33(82-2)43(32)67)5-9-41(65)85-20-38-46(70)50(74)53(77)58(93-38)87-22-40-48(72)52(76)56(80)61(95-40)91-36-18-27-29(64)16-26(17-30(27)89-57(36)25-7-8-28(63)31(15-25)90-60-55(79)49(73)45(69)37(19-62)92-60)88-59-54(78)51(75)47(71)39(94-59)21-86-42(66)10-6-24-13-34(83-3)44(68)35(14-24)84-4/h5-18,37-40,45-56,58-62,69-80H,19-22H2,1-4H3,(H3-,63,64,65,66,67,68)/p+1 > XGIATRRVWDRDPO-UHFFFAOYSA-O > C61H71O34 > 1348.196 > 1347.38267442 > 31 > 131.2288019593464 > 0 > 17 > 1 > 0 > 5-hydroxy-2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium > 1.73 > -1.2396999999999996 > -3.77 > 1 > 9 > 0 > 8.18580716858378 > 6.524593493757512 > -3.947350068270267 > 520.4100000000002 > 321.90960000000007 > 25 > 0 > 2.33e-01 g/l > 5-hydroxy-2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium > 0 > Alatanin B > 139610-20-1 $$$$