| Properties | Image |
|---|
| MNX_ID | MNXM1190710 |
 |
| reference | envipathM:...e11af55d4e1e |
| formula | C58H94O15 |
| global charge | -2 |
| mol weight | 1031.375 |
| InChIKey | PISMEJZXQWRWDZ-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H96O15/c1-4-6-8-14-22-34-47-48(71-47)35-23-16-12-19-25-37-52(62)68-41-45(42-69-53(63)38-26-20-13-17-24-36-50-57(73-50)55(65)56-49(72-56)33-7-5-2)70-54(64)39-27-18-11-9-10-15-21-31-44(59)32-29-28-30-43(3)46(58(66)67)40-51(60)61/h14,21-22,31,43-50,56-57,59H,4-13,15-20,23-30,32-42H2,1-3H3,(H,60,61)(H,66,67)/p-2 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(=O)C1OC1CCCC)OC(=O)CCCCCCCC=CC(O)CCCCC(C)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H96O15/c1-4-6-8-14-22-34-47-48(71-47)35-23-16-12-19-25-37-52(62)68-41-45(42-69-53(63)38-26-20-13-17-24-36-50-57(73-50)55(65)56-49(72-56)33-7-5-2)70-54(64)39-27-18-11-9-10-15-21-31-44(59)32-29-28-30-43(3)46(58(66)67)40-51(60)61/h14,21-22,31,43-50,56-57,59H,4-13,15-20,23-30,32-42H2,1-3H3,(H,60,61)(H,66,67)/b22-14?,31-21?/t43?,44?,45?,46?,47?,48?,49?,50?,56?,57? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:14]=[CH:22][CH2:34][CH:47]1[CH:48]([CH2:35][CH2:23][CH2:16][CH2:12][CH2:19][CH2:25][CH2:37][C:52](=[O:62])[O:68][CH2:41][CH:45]([CH2:42][O:69][C:53]([CH2:38][CH2:26][CH2:20][CH2:13][CH2:17][CH2:24][CH2:36][CH:50]2[CH:57]([C:55]([CH:56]3[CH:49]([CH2:33][CH2:7][CH2:5][CH3:2])[O:72]3)=[O:65])[O:73]2)=[O:63])[O:70][C:54]([CH2:39][CH2:27][CH2:18][CH2:11][CH2:9][CH2:10][CH2:15][CH:21]=[CH:31][CH:44]([CH2:32][CH2:29][CH2:28][CH2:30][CH:43]([CH3:3])[CH:46]([CH2:40][C:51](=[O:60])[OH:61])[C:58](=[O:66])[OH:67])[OH:59])=[O:64])[O:71]1 |
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