| Properties | Image |
|---|
| MNX_ID | MNXM120163 |
 |
| reference | hmdb:HMDB0031892 |
| formula | C50H84O25 |
| global charge | 0 |
| mol weight | 1085.197 |
| InChIKey | NFBYZSYLZUMCFV-CVVMOWQVSA-N |
| InChI | InChI=1S/C50H84O25/c1-8-50(7,75-49-44(38(61)33(56)28(19-52)71-49)74-47-40(63)36(59)32(55)27(18-51)70-47)17-11-16-23(3)13-9-12-22(2)14-10-15-24(4)20-66-46-42(65)43(31(54)26(6)69-46)73-48-41(64)37(60)34(57)29(72-48)21-67-45-39(62)35(58)30(53)25(5)68-45/h8,12,15-16,25-49,51-65H,1,9-11,13-14,17-21H2,2-7H3/b22-12-,23-16+,24-15+ |
| SMILES | C=CC(C)(CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)COC1OC(C)C(O)C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C1O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C50H84O25/c1-8-50(7,75-49-44(38(61)33(56)28(19-52)71-49)74-47-40(63)36(59)32(55)27(18-51)70-47)17-11-16-23(3)13-9-12-22(2)14-10-15-24(4)20-66-46-42(65)43(31(54)26(6)69-46)73-48-41(64)37(60)34(57)29(72-48)21-67-45-39(62)35(58)30(53)25(5)68-45/h8,12,15-16,25-49,51-65H,1,9-11,13-14,17-21H2,2-7H3/b22-12-,23-16+,24-15+/t25?,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? |
 |
| SMILES (mnx) | [CH2:1]=[CH:8][C:50]([CH3:7])([CH2:17][CH2:11]/[CH:16]=[C:23](\[CH3:3])[CH2:13][CH2:9]/[CH:12]=[C:22](/[CH3:2])[CH2:14][CH2:10]/[CH:15]=[C:24](\[CH3:4])[CH2:20][O:66][CH:46]1[CH:42]([OH:65])[CH:43]([O:73][CH:48]2[CH:41]([OH:64])[CH:37]([OH:60])[CH:34]([OH:57])[CH:29]([CH2:21][O:67][CH:45]3[CH:39]([OH:62])[CH:35]([OH:58])[CH:30]([OH:53])[CH:25]([CH3:5])[O:68]3)[O:72]2)[CH:31]([OH:54])[CH:26]([CH3:6])[O:69]1)[O:75][CH:49]1[CH:44]([O:74][CH:47]2[CH:40]([OH:63])[CH:36]([OH:59])[CH:32]([OH:55])[CH:27]([CH2:18][OH:51])[O:70]2)[CH:38]([OH:61])[CH:33]([OH:56])[CH:28]([CH2:19][OH:52])[O:71]1 |
|