| Properties | Image |
|---|
| MNX_ID | MNXM145143 |
 |
| reference | hmdb:HMDB0039395 |
| formula | C45H74O18 |
| global charge | 0 |
| mol weight | 903.069 |
| InChIKey | VFFZTNVCORWDDD-UHFFFAOYSA-N |
| InChI | InChI=1S/C45H74O18/c1-18-30-28(63-45(18)11-8-21(15-46)17-56-45)13-25-23-7-6-22-12-27(26(48)14-44(22,5)24(23)9-10-43(25,30)4)59-42-39(62-41-36(54)34(52)32(50)20(3)58-41)37(55)38(29(16-47)60-42)61-40-35(53)33(51)31(49)19(2)57-40/h18-42,46-55H,6-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(CO)OC(OC3CC4CCC5C(CCC6(C)C5CC5OC7(CCC(CO)CO7)C(C)C56)C4(C)CC3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C45H74O18/c1-18-30-28(63-45(18)11-8-21(15-46)17-56-45)13-25-23-7-6-22-12-27(26(48)14-44(22,5)24(23)9-10-43(25,30)4)59-42-39(62-41-36(54)34(52)32(50)20(3)58-41)37(55)38(29(16-47)60-42)61-40-35(53)33(51)31(49)19(2)57-40/h18-42,46-55H,6-17H2,1-5H3/t18?,19?,20?,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? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:30]2[CH:28]([CH2:13][CH:25]3[CH:23]4[CH2:7][CH2:6][CH:22]5[CH2:12][CH:27]([O:59][CH:42]6[CH:39]([O:62][CH:41]7[CH:36]([OH:54])[CH:34]([OH:52])[CH:32]([OH:50])[CH:20]([CH3:3])[O:58]7)[CH:37]([OH:55])[CH:38]([O:61][CH:40]7[CH:35]([OH:53])[CH:33]([OH:51])[CH:31]([OH:49])[CH:19]([CH3:2])[O:57]7)[CH:29]([CH2:16][OH:47])[O:60]6)[CH:26]([OH:48])[CH2:14][C:44]5([CH3:5])[CH:24]4[CH2:9][CH2:10][C:43]32[CH3:4])[O:63][C:45]12[CH2:11][CH2:8][CH:21]([CH2:15][OH:46])[CH2:17][O:56]2 |
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