| Properties | Image |
|---|
| MNX_ID | MNXM1188649 |
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| reference | envipathM:...b7943ba52a84 |
| formula | C58H94O15 |
| global charge | -2 |
| mol weight | 1031.375 |
| InChIKey | XQUCCRQXYCNBKB-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H96O15/c1-4-6-7-18-25-33-47-48(71-47)34-26-19-16-22-28-36-53(62)68-42-44(43-69-54(63)37-29-23-17-20-27-35-49-50(72-49)41-51-56(73-51)46(59)32-5-2)70-55(64)38-30-21-14-12-10-8-9-11-13-15-24-31-39-58(3,67)45(57(65)66)40-52(60)61/h9,11,18,25,44-45,47-51,56,67H,4-8,10,12-17,19-24,26-43H2,1-3H3,(H,60,61)(H,65,66)/p-2 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(=O)CCC)OC(=O)CCCCCCCC=CCCCCCC(C)(O)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H96O15/c1-4-6-7-18-25-33-47-48(71-47)34-26-19-16-22-28-36-53(62)68-42-44(43-69-54(63)37-29-23-17-20-27-35-49-50(72-49)41-51-56(73-51)46(59)32-5-2)70-55(64)38-30-21-14-12-10-8-9-11-13-15-24-31-39-58(3,67)45(57(65)66)40-52(60)61/h9,11,18,25,44-45,47-51,56,67H,4-8,10,12-17,19-24,26-43H2,1-3H3,(H,60,61)(H,65,66)/b11-9?,25-18?/t44?,45?,47?,48?,49?,50?,51?,56?,58? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:7][CH:18]=[CH:25][CH2:33][CH:47]1[CH:48]([CH2:34][CH2:26][CH2:19][CH2:16][CH2:22][CH2:28][CH2:36][C:53](=[O:62])[O:68][CH2:42][CH:44]([CH2:43][O:69][C:54]([CH2:37][CH2:29][CH2:23][CH2:17][CH2:20][CH2:27][CH2:35][CH:49]2[CH:50]([CH2:41][CH:51]3[CH:56]([C:46]([CH2:32][CH2:5][CH3:2])=[O:59])[O:73]3)[O:72]2)=[O:63])[O:70][C:55]([CH2:38][CH2:30][CH2:21][CH2:14][CH2:12][CH2:10][CH2:8][CH:9]=[CH:11][CH2:13][CH2:15][CH2:24][CH2:31][CH2:39][C:58]([CH3:3])([CH:45]([CH2:40][C:52](=[O:60])[OH:61])[C:57](=[O:65])[OH:66])[OH:67])=[O:64])[O:71]1 |
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