| Properties | Image |
|---|
| MNX_ID | MNXM1179189 |
 |
| reference | envipathM:...b242248a3722 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | MTKMBMMXQMEODG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-8-9-10-11-12-13-14-15-16-17-22-29-37-52(62)66-41(40-65-51(61)36-28-24-19-21-26-33-47-48(67-47)34-30-32-44(57)42(55)5-2)39-64-50(60)35-27-23-18-20-25-31-45(58)46(59)38-49-54(68-49)53(63)43(56)6-3/h9-10,12-13,30,32,41-49,53-59,63H,4-8,11,14-29,31,33-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1C(O)C(O)CC)COC(=O)CCCCCCCC1OC1CC=CC(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-8-9-10-11-12-13-14-15-16-17-22-29-37-52(62)66-41(40-65-51(61)36-28-24-19-21-26-33-47-48(67-47)34-30-32-44(57)42(55)5-2)39-64-50(60)35-27-23-18-20-25-31-45(58)46(59)38-49-54(68-49)53(63)43(56)6-3/h9-10,12-13,30,32,41-49,53-59,63H,4-8,11,14-29,31,33-40H2,1-3H3/b10-9?,13-12?,32-30?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:22][CH2:29][CH2:37][C:52](=[O:62])[O:66][CH:41]([CH2:39][O:64][C:50]([CH2:35][CH2:27][CH2:23][CH2:18][CH2:20][CH2:25][CH2:31][CH:45]([CH:46]([CH2:38][CH:49]1[CH:54]([CH:53]([CH:43]([CH2:6][CH3:3])[OH:56])[OH:63])[O:68]1)[OH:59])[OH:58])=[O:60])[CH2:40][O:65][C:51]([CH2:36][CH2:28][CH2:24][CH2:19][CH2:21][CH2:26][CH2:33][CH:47]1[CH:48]([CH2:34][CH:30]=[CH:32][CH:44]([CH:42]([CH2:5][CH3:2])[OH:55])[OH:57])[O:67]1)=[O:61] |
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