| Properties | Image |
|---|
| MNX_ID | MNXM1181879 |
 |
| reference | envipathM:...43cd25298479 |
| formula | C39H64O16 |
| global charge | 0 |
| mol weight | 788.925 |
| InChIKey | FQACUXCJXBRPRN-UHFFFAOYSA-N |
| InChI | InChI=1S/C39H64O16/c1-16-32(45)24(41)13-29(50-16)54-35-18(3)52-30(15-26(35)43)55-34-17(2)51-28(14-25(34)42)53-20-6-8-37(4)19(10-20)11-23(40)31-22(37)12-27(44)38(5)21(33(46)36(47)48)7-9-39(31,38)49/h16-32,34-36,40-45,47-49H,6-15H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C5CC(O)C5(C)C(C(=O)C(O)O)CCC45O)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C39H64O16/c1-16-32(45)24(41)13-29(50-16)54-35-18(3)52-30(15-26(35)43)55-34-17(2)51-28(14-25(34)42)53-20-6-8-37(4)19(10-20)11-23(40)31-22(37)12-27(44)38(5)21(33(46)36(47)48)7-9-39(31,38)49/h16-32,34-36,40-45,47-49H,6-15H2,1-5H3/t16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,34?,35?,37?,38?,39? |
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| SMILES (mnx) | [CH3:1][CH:16]1[CH:32]([OH:45])[CH:24]([OH:41])[CH2:13][CH:29]([O:54][CH:35]2[CH:18]([CH3:3])[O:52][CH:30]([O:55][CH:34]3[CH:17]([CH3:2])[O:51][CH:28]([O:53][CH:20]4[CH2:6][CH2:8][C:37]5([CH3:4])[CH:19]([CH2:10]4)[CH2:11][CH:23]([OH:40])[CH:31]4[CH:22]5[CH2:12][CH:27]([OH:44])[C:38]5([CH3:5])[CH:21]([C:33]([CH:36]([OH:47])[OH:48])=[O:46])[CH2:7][CH2:9][C:39]45[OH:49])[CH2:14][CH:25]3[OH:42])[CH2:15][CH:26]2[OH:43])[O:50]1 |
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