| Properties | Image |
|---|
| MNX_ID | MNXM1179854 |
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| reference | envipathM:...faf6f7105e86 |
| formula | C45H73NO17 |
| global charge | 0 |
| mol weight | 900.069 |
| InChIKey | SPNWCVFWACEGDK-NMBVAIPKSA-N |
| InChI | InChI=1S/C45H73NO17/c1-18-24-10-11-43(3,57)17-46(24)29-27(18)45(5)13-9-23-22(28(45)33(29)52)7-6-20-14-21(8-12-44(20,23)4)59-42-39(63-40-36(55)34(53)30(49)19(2)58-40)38(32(51)26(16-48)61-42)62-41-37(56)35(54)31(50)25(15-47)60-41/h6,18-19,21-42,47-57H,7-17H2,1-5H3/t18?,19?,21?,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 | CC1OC(OC2C(OC3CC[C@@]4(C)C(=CCC5C6C(O)C7C(C(C)C8CCC(C)(O)CN87)[C@@]6(C)CCC54)C3)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C45H73NO17/c1-18-24-10-11-43(3,57)17-46(24)29-27(18)45(5)13-9-23-22(28(45)33(29)52)7-6-20-14-21(8-12-44(20,23)4)59-42-39(63-40-36(55)34(53)30(49)19(2)58-40)38(32(51)26(16-48)61-42)62-41-37(56)35(54)31(50)25(15-47)60-41/h6,18-19,21-42,47-57H,7-17H2,1-5H3/t18?,19?,21?,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[CH:24]2[CH2:10][CH2:11][C:43]([CH3:3])([OH:57])[CH2:17][N:46]2[CH:29]2[CH:27]1[C@@:45]1([CH3:5])[CH2:13][CH2:9][CH:23]3[CH:22]([CH2:7][CH:6]=[C:20]4[CH2:14][CH:21]([O:59][CH:42]5[CH:39]([O:63][CH:40]6[CH:36]([OH:55])[CH:34]([OH:53])[CH:30]([OH:49])[CH:19]([CH3:2])[O:58]6)[CH:38]([O:62][CH:41]6[CH:37]([OH:56])[CH:35]([OH:54])[CH:31]([OH:50])[CH:25]([CH2:15][OH:47])[O:60]6)[CH:32]([OH:51])[CH:26]([CH2:16][OH:48])[O:61]5)[CH2:8][CH2:12][C@@:44]43[CH3:4])[CH:28]1[CH:33]2[OH:52] |
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