| Properties | Image |
|---|
| MNX_ID | MNXM1182281 |
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| reference | envipathM:...28f18b4e7b90 |
| formula | C54H96O14 |
| global charge | 0 |
| mol weight | 969.348 |
| InChIKey | NVYMRRLJCGNPOO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O14/c1-4-7-10-22-30-42(55)31-23-16-13-12-14-18-29-38-52(63)67-43(40-65-50(61)36-27-19-15-17-25-34-46(58)53(64)45(57)33-24-11-8-5-2)41-66-51(62)37-28-21-20-26-35-47(59)54-49(68-54)39-48(60)44(56)32-9-6-3/h22-24,30-31,33,42-49,53-60,64H,4-21,25-29,32,34-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C=CCCCC)COC(=O)CCCCCCC(O)C1OC1CC(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O14/c1-4-7-10-22-30-42(55)31-23-16-13-12-14-18-29-38-52(63)67-43(40-65-50(61)36-27-19-15-17-25-34-46(58)53(64)45(57)33-24-11-8-5-2)41-66-51(62)37-28-21-20-26-35-47(59)54-49(68-54)39-48(60)44(56)32-9-6-3/h22-24,30-31,33,42-49,53-60,64H,4-21,25-29,32,34-41H2,1-3H3/b30-22?,31-23?,33-24?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:22]=[CH:30][CH:42]([CH:31]=[CH:23][CH2:16][CH2:13][CH2:12][CH2:14][CH2:18][CH2:29][CH2:38][C:52](=[O:63])[O:67][CH:43]([CH2:40][O:65][C:50]([CH2:36][CH2:27][CH2:19][CH2:15][CH2:17][CH2:25][CH2:34][CH:46]([CH:53]([CH:45]([CH:33]=[CH:24][CH2:11][CH2:8][CH2:5][CH3:2])[OH:57])[OH:64])[OH:58])=[O:61])[CH2:41][O:66][C:51]([CH2:37][CH2:28][CH2:21][CH2:20][CH2:26][CH2:35][CH:47]([CH:54]1[CH:49]([CH2:39][CH:48]([CH:44]([CH2:32][CH2:9][CH2:6][CH3:3])[OH:56])[OH:60])[O:68]1)[OH:59])=[O:62])[OH:55] |
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