| Properties | Image |
|---|
| MNX_ID | MNXM1180428 |
 |
| reference | envipathM:...15af561ca7e3 |
| formula | C45H71NO16 |
| global charge | 0 |
| mol weight | 882.054 |
| InChIKey | IDVPKWMIJKJZPG-FEWYNWEYSA-N |
| InChI | InChI=1S/C45H71NO16/c1-18-6-7-25-19(2)31-26(46(25)15-18)14-24-30-23(9-11-45(24,31)5)44(4)10-8-22(12-21(44)13-27(30)49)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h13,16,18-20,22-43,48-56H,6-12,14-15,17H2,1-5H3/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44-,45-/m0/s1 |
| SMILES | CC1CCC2C(C)C3C(CC4C5C(O)C=C6CC(OC7OC(CO)C(O)C(OC8OC(C=O)C(O)C(O)C8O)C7OC7OC(C)C(O)C(O)C7O)CC[C@]6(C)C5CC[C@@]43C)N2C1 |
MNX internals
| InChI (mnx) | InChI=1/C45H71NO16/c1-18-6-7-25-19(2)31-26(46(25)15-18)14-24-30-23(9-11-45(24,31)5)44(4)10-8-22(12-21(44)13-27(30)49)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h13,16,18-20,22-43,48-56H,6-12,14-15,17H2,1-5H3/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44-,45-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH2:6][CH2:7][CH:25]2[CH:19]([CH3:2])[CH:31]3[CH:26]([CH2:14][CH:24]4[CH:30]5[CH:23]([CH2:9][CH2:11][C@@:45]43[CH3:5])[C@@:44]3([CH3:4])[CH2:10][CH2:8][CH:22]([O:58][CH:43]4[CH:40]([O:62][CH:41]6[CH:37]([OH:55])[CH:35]([OH:53])[CH:32]([OH:50])[CH:20]([CH3:3])[O:57]6)[CH:39]([O:61][CH:42]6[CH:38]([OH:56])[CH:36]([OH:54])[CH:33]([OH:51])[CH:28]([CH:16]=[O:47])[O:59]6)[CH:34]([OH:52])[CH:29]([CH2:17][OH:48])[O:60]4)[CH2:12][C:21]3=[CH:13][CH:27]5[OH:49])[N:46]2[CH2:15]1 |
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