| Properties | Image |
|---|
| MNX_ID | MNXM118869 |
 |
| reference | hmdb:HMDB0034417 |
| formula | C62H102O33 |
| global charge | 0 |
| mol weight | 1375.465 |
| InChIKey | IDJXJAJYEFRBPY-UHFFFAOYSA-N |
| InChI | InChI=1S/C62H102O33/c1-21(19-83-54-46(78)42(74)39(71)31(15-63)87-54)8-11-62(82)22(2)36-30(95-62)13-28-26-7-6-24-12-25(9-10-60(24,4)27(26)14-35(68)61(28,36)5)86-57-48(80)44(76)50(33(17-65)89-57)91-58-49(81)52(93-56-47(79)41(73)37(69)23(3)85-56)51(34(18-66)90-58)92-59-53(43(75)40(72)32(16-64)88-59)94-55-45(77)38(70)29(67)20-84-55/h21-34,36-59,63-67,69-82H,6-20H2,1-5H3 |
| SMILES | CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8OC8OCC(O)C(O)C8O)C(OC8OC(C)C(O)C(O)C8O)C7O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C62H102O33/c1-21(19-83-54-46(78)42(74)39(71)31(15-63)87-54)8-11-62(82)22(2)36-30(95-62)13-28-26-7-6-24-12-25(9-10-60(24,4)27(26)14-35(68)61(28,36)5)86-57-48(80)44(76)50(33(17-65)89-57)91-58-49(81)52(93-56-47(79)41(73)37(69)23(3)85-56)51(34(18-66)90-58)92-59-53(43(75)40(72)32(16-64)88-59)94-55-45(77)38(70)29(67)20-84-55/h21-34,36-59,63-67,69-82H,6-20H2,1-5H3/t21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62? |
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| SMILES (mnx) | [CH3:1][CH:21]([CH2:8][CH2:11][C:62]1([OH:82])[CH:22]([CH3:2])[CH:36]2[CH:30]([CH2:13][CH:28]3[CH:26]4[CH2:7][CH2:6][CH:24]5[CH2:12][CH:25]([O:86][CH:57]6[CH:48]([OH:80])[CH:44]([OH:76])[CH:50]([O:91][CH:58]7[CH:49]([OH:81])[CH:52]([O:93][CH:56]8[CH:47]([OH:79])[CH:41]([OH:73])[CH:37]([OH:69])[CH:23]([CH3:3])[O:85]8)[CH:51]([O:92][CH:59]8[CH:53]([O:94][CH:55]9[CH:45]([OH:77])[CH:38]([OH:70])[CH:29]([OH:67])[CH2:20][O:84]9)[CH:43]([OH:75])[CH:40]([OH:72])[CH:32]([CH2:16][OH:64])[O:88]8)[CH:34]([CH2:18][OH:66])[O:90]7)[CH:33]([CH2:17][OH:65])[O:89]6)[CH2:9][CH2:10][C:60]5([CH3:4])[CH:27]4[CH2:14][C:35](=[O:68])[C:61]32[CH3:5])[O:95]1)[CH2:19][O:83][CH:54]1[CH:46]([OH:78])[CH:42]([OH:74])[CH:39]([OH:71])[CH:31]([CH2:15][OH:63])[O:87]1 |
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