| Properties | Image |
|---|
| MNX_ID | MNXM1194658 |
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| reference | envipathM:...04be97f3c1cc |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | NMNATVZWPQPSFF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-9-23-31-43(56)52(62)44(57)32-24-18-16-20-27-36-50(60)64-39-42(66-51(61)37-28-19-15-13-11-10-12-14-17-22-30-41(55)29-6-3)40-65-54(63)46(59)34-26-21-25-33-45(58)53-49(68-53)38-48-47(67-48)35-8-5-2/h12,14,22-23,30-31,41-49,52-53,55-59,62H,4-11,13,15-21,24-29,32-40H2,1-3H3 |
| SMILES | CCCCC=CC(O)C(O)C(O)CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCC(O)C1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-9-23-31-43(56)52(62)44(57)32-24-18-16-20-27-36-50(60)64-39-42(66-51(61)37-28-19-15-13-11-10-12-14-17-22-30-41(55)29-6-3)40-65-54(63)46(59)34-26-21-25-33-45(58)53-49(68-53)38-48-47(67-48)35-8-5-2/h12,14,22-23,30-31,41-49,52-53,55-59,62H,4-11,13,15-21,24-29,32-40H2,1-3H3/b14-12?,30-22?,31-23?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:23]=[CH:31][CH:43]([CH:52]([CH:44]([CH2:32][CH2:24][CH2:18][CH2:16][CH2:20][CH2:27][CH2:36][C:50](=[O:60])[O:64][CH2:39][CH:42]([CH2:40][O:65][C:54]([CH:46]([CH2:34][CH2:26][CH2:21][CH2:25][CH2:33][CH:45]([CH:53]1[CH:49]([CH2:38][CH:48]2[CH:47]([CH2:35][CH2:8][CH2:5][CH3:2])[O:67]2)[O:68]1)[OH:58])[OH:59])=[O:63])[O:66][C:51]([CH2:37][CH2:28][CH2:19][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:17][CH:22]=[CH:30][CH:41]([CH2:29][CH2:6][CH3:3])[OH:55])=[O:61])[OH:57])[OH:62])[OH:56] |
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