| Properties | Image |
|---|
| MNX_ID | MNXM1138835 |
 |
| reference | envipathM:...23423858228f |
| formula | C58H96O15 |
| global charge | -2 |
| mol weight | 1033.391 |
| InChIKey | JIXDLGLJQKXOGU-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O15/c1-4-6-8-17-27-35-48-49(71-48)36-29-23-22-26-32-46(59)57(66)69-42-44(41-68-55(63)38-30-21-16-20-28-37-51-53(73-51)40-52-50(72-52)34-7-5-2)70-58(67)47(60)33-25-19-15-13-11-9-10-12-14-18-24-31-43(3)45(56(64)65)39-54(61)62/h9-10,17,27,43-53,59-60H,4-8,11-16,18-26,28-42H2,1-3H3,(H,61,62)(H,64,65)/p-2 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CCCCCCC(C)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H98O15/c1-4-6-8-17-27-35-48-49(71-48)36-29-23-22-26-32-46(59)57(66)69-42-44(41-68-55(63)38-30-21-16-20-28-37-51-53(73-51)40-52-50(72-52)34-7-5-2)70-58(67)47(60)33-25-19-15-13-11-9-10-12-14-18-24-31-43(3)45(56(64)65)39-54(61)62/h9-10,17,27,43-53,59-60H,4-8,11-16,18-26,28-42H2,1-3H3,(H,61,62)(H,64,65)/b10-9?,27-17?/t43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:17]=[CH:27][CH2:35][CH:48]1[CH:49]([CH2:36][CH2:29][CH2:23][CH2:22][CH2:26][CH2:32][CH:46]([C:57](=[O:66])[O:69][CH2:42][CH:44]([CH2:41][O:68][C:55]([CH2:38][CH2:30][CH2:21][CH2:16][CH2:20][CH2:28][CH2:37][CH:51]2[CH:53]([CH2:40][CH:52]3[CH:50]([CH2:34][CH2:7][CH2:5][CH3:2])[O:72]3)[O:73]2)=[O:63])[O:70][C:58]([CH:47]([CH2:33][CH2:25][CH2:19][CH2:15][CH2:13][CH2:11][CH:9]=[CH:10][CH2:12][CH2:14][CH2:18][CH2:24][CH2:31][CH:43]([CH3:3])[CH:45]([CH2:39][C:54](=[O:61])[OH:62])[C:56](=[O:64])[OH:65])[OH:60])=[O:67])[OH:59])[O:71]1 |
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