| Properties | Image |
|---|
| MNX_ID | MNXM1182035 |
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| reference | envipathM:...681c2c34c685 |
| formula | C54H96O14 |
| global charge | 0 |
| mol weight | 969.348 |
| InChIKey | OOSHKOQFOKXPIZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O14/c1-4-7-9-11-12-15-22-31-42(55)32-23-20-21-29-38-52(63)67-43(41-66-51(62)37-28-19-14-17-26-35-46(58)53(64)45(57)34-24-10-8-5-2)40-65-50(61)36-27-18-13-16-25-33-44(56)48(60)39-49-54(68-49)47(59)30-6-3/h11-12,22,24,31,34,42-49,53-60,64H,4-10,13-21,23,25-30,32-33,35-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1C(O)CCC)COC(=O)CCCCCCCC(O)C(O)C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O14/c1-4-7-9-11-12-15-22-31-42(55)32-23-20-21-29-38-52(63)67-43(41-66-51(62)37-28-19-14-17-26-35-46(58)53(64)45(57)34-24-10-8-5-2)40-65-50(61)36-27-18-13-16-25-33-44(56)48(60)39-49-54(68-49)47(59)30-6-3/h11-12,22,24,31,34,42-49,53-60,64H,4-10,13-21,23,25-30,32-33,35-41H2,1-3H3/b12-11?,31-22?,34-24?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:15][CH:22]=[CH:31][CH:42]([CH2:32][CH2:23][CH2:20][CH2:21][CH2:29][CH2:38][C:52](=[O:63])[O:67][CH:43]([CH2:40][O:65][C:50]([CH2:36][CH2:27][CH2:18][CH2:13][CH2:16][CH2:25][CH2:33][CH:44]([CH:48]([CH2:39][CH:49]1[CH:54]([CH:47]([CH2:30][CH2:6][CH3:3])[OH:59])[O:68]1)[OH:60])[OH:56])=[O:61])[CH2:41][O:66][C:51]([CH2:37][CH2:28][CH2:19][CH2:14][CH2:17][CH2:26][CH2:35][CH:46]([CH:53]([CH:45]([CH:34]=[CH:24][CH2:10][CH2:8][CH2:5][CH3:2])[OH:57])[OH:64])[OH:58])=[O:62])[OH:55] |
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