| Properties | Image |
|---|
| MNX_ID | MNXM1179290 |
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| reference | envipathM:...37ff52e6b659 |
| formula | C62H100O17 |
| global charge | -4 |
| mol weight | 1117.465 |
| InChIKey | YACAZJXMJORHMO-UHFFFAOYSA-J |
| InChI | InChI=1S/C62H104O17/c1-4-5-33-52-54(78-52)42-55-53(79-55)36-26-18-15-21-29-38-58(66)75-44-47(76-59(67)39-30-19-13-11-9-7-6-8-10-12-16-23-31-45(2)40-49(61(70)71)62(72)73)43-74-57(65)37-28-20-14-17-25-34-50-51(77-50)35-27-22-24-32-46(3)48(60(68)69)41-56(63)64/h6,8,45-55H,4-5,7,9-44H2,1-3H3,(H,63,64)(H,68,69)(H,70,71)(H,72,73)/p-4 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CCCCCC(C)C(CC(=O)[O-])C(=O)[O-])OC(=O)CCCCCCCC=CCCCCCC(C)CC(C(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C62H104O17/c1-4-5-33-52-54(78-52)42-55-53(79-55)36-26-18-15-21-29-38-58(66)75-44-47(76-59(67)39-30-19-13-11-9-7-6-8-10-12-16-23-31-45(2)40-49(61(70)71)62(72)73)43-74-57(65)37-28-20-14-17-25-34-50-51(77-50)35-27-22-24-32-46(3)48(60(68)69)41-56(63)64/h6,8,45-55H,4-5,7,9-44H2,1-3H3,(H,63,64)(H,68,69)(H,70,71)(H,72,73)/b8-6?/t45?,46?,47?,48?,50?,51?,52?,53?,54?,55? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:33][CH:52]1[CH:54]([CH2:42][CH:55]2[CH:53]([CH2:36][CH2:26][CH2:18][CH2:15][CH2:21][CH2:29][CH2:38][C:58](=[O:66])[O:75][CH2:44][CH:47]([CH2:43][O:74][C:57]([CH2:37][CH2:28][CH2:20][CH2:14][CH2:17][CH2:25][CH2:34][CH:50]3[CH:51]([CH2:35][CH2:27][CH2:22][CH2:24][CH2:32][CH:46]([CH3:3])[CH:48]([CH2:41][C:56](=[O:63])[OH:64])[C:60](=[O:68])[OH:69])[O:77]3)=[O:65])[O:76][C:59]([CH2:39][CH2:30][CH2:19][CH2:13][CH2:11][CH2:9][CH2:7][CH:6]=[CH:8][CH2:10][CH2:12][CH2:16][CH2:23][CH2:31][CH:45]([CH3:2])[CH2:40][CH:49]([C:61](=[O:70])[OH:71])[C:62](=[O:72])[OH:73])=[O:67])[O:79]2)[O:78]1 |
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