| Properties | Image |
|---|
| MNX_ID | MNXM1170773 |
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| reference | envipathM:...4652b3e1d2a4 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | NBZPTXCTIBMHAQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-16-25-41(56)35-36-44(58)54(62)43(57)27-21-22-34-53(61)65-42(38-63-51(59)32-19-14-10-12-17-29-45-46(66-45)31-23-26-40(55)24-6-3)39-64-52(60)33-20-15-11-13-18-30-48-50(68-48)37-49-47(67-49)28-8-5-2/h16,23,25-26,35-36,40-50,54-58,62H,4-15,17-22,24,27-34,37-39H2,1-3H3 |
| SMILES | CCCCC=CC(O)C=CC(O)C(O)C(O)CCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-16-25-41(56)35-36-44(58)54(62)43(57)27-21-22-34-53(61)65-42(38-63-51(59)32-19-14-10-12-17-29-45-46(66-45)31-23-26-40(55)24-6-3)39-64-52(60)33-20-15-11-13-18-30-48-50(68-48)37-49-47(67-49)28-8-5-2/h16,23,25-26,35-36,40-50,54-58,62H,4-15,17-22,24,27-34,37-39H2,1-3H3/b25-16?,26-23?,36-35?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:16]=[CH:25][CH:41]([CH:35]=[CH:36][CH:44]([CH:54]([CH:43]([CH2:27][CH2:21][CH2:22][CH2:34][C:53](=[O:61])[O:65][CH:42]([CH2:38][O:63][C:51]([CH2:32][CH2:19][CH2:14][CH2:10][CH2:12][CH2:17][CH2:29][CH:45]1[CH:46]([CH2:31][CH:23]=[CH:26][CH:40]([CH2:24][CH2:6][CH3:3])[OH:55])[O:66]1)=[O:59])[CH2:39][O:64][C:52]([CH2:33][CH2:20][CH2:15][CH2:11][CH2:13][CH2:18][CH2:30][CH:48]1[CH:50]([CH2:37][CH:49]2[CH:47]([CH2:28][CH2:8][CH2:5][CH3:2])[O:67]2)[O:68]1)=[O:60])[OH:57])[OH:62])[OH:58])[OH:56] |
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