| Properties | Image |
|---|
| MNX_ID | MNXM119431 |
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| reference | hmdb:HMDB0030117 |
| formula | C51H86O24 |
| global charge | 0 |
| mol weight | 1083.225 |
| InChIKey | RZZKWHQUBSTBSP-UHFFFAOYSA-N |
| InChI | InChI=1S/C51H86O24/c1-20(19-67-45-39(62)36(59)33(56)28(15-52)69-45)7-12-51(66)21(2)32-27(75-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)68-48-42(65)44(74-47-41(64)38(61)35(58)30(17-54)71-47)43(31(18-55)72-48)73-46-40(63)37(60)34(57)29(16-53)70-46/h20-48,52-66H,5-19H2,1-4H3 |
| SMILES | CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C51H86O24/c1-20(19-67-45-39(62)36(59)33(56)28(15-52)69-45)7-12-51(66)21(2)32-27(75-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)68-48-42(65)44(74-47-41(64)38(61)35(58)30(17-54)71-47)43(31(18-55)72-48)73-46-40(63)37(60)34(57)29(16-53)70-46/h20-48,52-66H,5-19H2,1-4H3/t20?,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?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH:20]([CH2:7][CH2:12][C:51]1([OH:66])[CH:21]([CH3:2])[CH:32]2[CH:27]([CH2:14][CH:26]3[CH:24]4[CH2:6][CH2:5][CH:22]5[CH2:13][CH:23]([O:68][CH:48]6[CH:42]([OH:65])[CH:44]([O:74][CH:47]7[CH:41]([OH:64])[CH:38]([OH:61])[CH:35]([OH:58])[CH:30]([CH2:17][OH:54])[O:71]7)[CH:43]([O:73][CH:46]7[CH:40]([OH:63])[CH:37]([OH:60])[CH:34]([OH:57])[CH:29]([CH2:16][OH:53])[O:70]7)[CH:31]([CH2:18][OH:55])[O:72]6)[CH2:8][CH2:10][C:49]5([CH3:3])[CH:25]4[CH2:9][CH2:11][C:50]32[CH3:4])[O:75]1)[CH2:19][O:67][CH:45]1[CH:39]([OH:62])[CH:36]([OH:59])[CH:33]([OH:56])[CH:28]([CH2:15][OH:52])[O:69]1 |
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