| Properties | Image |
|---|
| MNX_ID | MNXM125014 |
 |
| reference | hmdb:HMDB0038023 |
| formula | C57H92O26 |
| global charge | 0 |
| mol weight | 1193.337 |
| InChIKey | RARXBXNBVUQZTI-UHFFFAOYSA-N |
| InChI | InChI=1S/C57H92O26/c1-21-9-14-57(73-19-21)22(2)34-30(83-57)16-29-27-8-7-25-15-26(10-12-55(25,5)28(27)11-13-56(29,34)6)76-54-49(82-51-43(68)38(63)35(60)23(3)74-51)46(71)48(32(18-59)78-54)81-52-45(70)41(66)47(24(4)75-52)80-53-44(69)40(65)37(62)33(79-53)20-72-50-42(67)39(64)36(61)31(17-58)77-50/h7,21-24,26-54,58-71H,8-20H2,1-6H3 |
| SMILES | CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(OC8OC(COC9OC(CO)C(O)C(O)C9O)C(O)C(O)C8O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C |
MNX internals
| InChI (mnx) | InChI=1/C57H92O26/c1-21-9-14-57(73-19-21)22(2)34-30(83-57)16-29-27-8-7-25-15-26(10-12-55(25,5)28(27)11-13-56(29,34)6)76-54-49(82-51-43(68)38(63)35(60)23(3)74-51)46(71)48(32(18-59)78-54)81-52-45(70)41(66)47(24(4)75-52)80-53-44(69)40(65)37(62)33(79-53)20-72-50-42(67)39(64)36(61)31(17-58)77-50/h7,21-24,26-54,58-71H,8-20H2,1-6H3/t21?,22?,23?,24?,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?,52?,53?,54?,55?,56?,57? |
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| SMILES (mnx) | [CH3:1][CH:21]1[CH2:9][CH2:14][C:57]2([CH:22]([CH3:2])[CH:34]3[CH:30]([CH2:16][CH:29]4[CH:27]5[CH2:8][CH:7]=[C:25]6[CH2:15][CH:26]([O:76][CH:54]7[CH:49]([O:82][CH:51]8[CH:43]([OH:68])[CH:38]([OH:63])[CH:35]([OH:60])[CH:23]([CH3:3])[O:74]8)[CH:46]([OH:71])[CH:48]([O:81][CH:52]8[CH:45]([OH:70])[CH:41]([OH:66])[CH:47]([O:80][CH:53]9[CH:44]([OH:69])[CH:40]([OH:65])[CH:37]([OH:62])[CH:33]([CH2:20][O:72][CH:50]%10[CH:42]([OH:67])[CH:39]([OH:64])[CH:36]([OH:61])[CH:31]([CH2:17][OH:58])[O:77]%10)[O:79]9)[CH:24]([CH3:4])[O:75]8)[CH:32]([CH2:18][OH:59])[O:78]7)[CH2:10][CH2:12][C:55]6([CH3:5])[CH:28]5[CH2:11][CH2:13][C:56]43[CH3:6])[O:83]2)[O:73][CH2:19]1 |
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