| Properties | Image |
|---|
| MNX_ID | MNXM119614 |
 |
| reference | hmdb:HMDB0038312 |
| formula | C51H84O23 |
| global charge | 0 |
| mol weight | 1065.21 |
| InChIKey | YGVBGPSWCYFEAW-UHFFFAOYSA-N |
| InChI | InChI=1S/C51H84O23/c1-20(19-66-45-40(62)37(59)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-47-42(64)39(61)43(31(18-54)71-47)72-48-44(38(60)35(57)30(17-53)70-48)73-46-41(63)36(58)33(55)22(3)67-46/h6,20-22,24-48,52-65H,7-19H2,1-5H3 |
| SMILES | CC(CCC1(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C51H84O23/c1-20(19-66-45-40(62)37(59)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-47-42(64)39(61)43(31(18-54)71-47)72-48-44(38(60)35(57)30(17-53)70-48)73-46-41(63)36(58)33(55)22(3)67-46/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20?,21?,22?,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]([CH2:8][CH2:13][C:51]1([OH:65])[CH:21]([CH3:2])[CH:32]2[CH:28]([CH2:15][CH:27]3[CH:25]4[CH2:7][CH:6]=[C:23]5[CH2:14][CH:24]([O:68][CH:47]6[CH:42]([OH:64])[CH:39]([OH:61])[CH:43]([O:72][CH:48]7[CH:44]([O:73][CH:46]8[CH:41]([OH:63])[CH:36]([OH:58])[CH:33]([OH:55])[CH:22]([CH3:3])[O:67]8)[CH:38]([OH:60])[CH:35]([OH:57])[CH:30]([CH2:17][OH:53])[O:70]7)[CH:31]([CH2:18][OH:54])[O:71]6)[CH2:9][CH2:11][C:49]5([CH3:4])[CH:26]4[CH2:10][CH2:12][C:50]32[CH3:5])[O:74]1)[CH2:19][O:66][CH:45]1[CH:40]([OH:62])[CH:37]([OH:59])[CH:34]([OH:56])[CH:29]([CH2:16][OH:52])[O:69]1 |
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