| Properties | Image |
|---|
| MNX_ID | MNXM1170736 |
 |
| reference | envipathM:...4f9312c08051 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | VCFQKCMHIVIHMX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-7-11-22-31-44(57)53(62)45(58)32-23-16-17-27-37-52(61)65-41-43(66-54(63)46(59)33-24-13-9-8-12-20-29-42(56)30-21-18-19-28-38-55)40-64-51(60)36-26-15-10-14-25-35-48-50(68-48)39-49-47(67-49)34-6-4-2/h11,20-22,29-30,42-50,53,55-59,62H,3-10,12-19,23-28,31-41H2,1-2H3 |
| SMILES | CCCCC=CCC(O)C(O)C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CC(O)C=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-7-11-22-31-44(57)53(62)45(58)32-23-16-17-27-37-52(61)65-41-43(66-54(63)46(59)33-24-13-9-8-12-20-29-42(56)30-21-18-19-28-38-55)40-64-51(60)36-26-15-10-14-25-35-48-50(68-48)39-49-47(67-49)34-6-4-2/h11,20-22,29-30,42-50,53,55-59,62H,3-10,12-19,23-28,31-41H2,1-2H3/b22-11?,29-20?,30-21?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:11]=[CH:22][CH2:31][CH:44]([CH:53]([CH:45]([CH2:32][CH2:23][CH2:16][CH2:17][CH2:27][CH2:37][C:52](=[O:61])[O:65][CH2:41][CH:43]([CH2:40][O:64][C:51]([CH2:36][CH2:26][CH2:15][CH2:10][CH2:14][CH2:25][CH2:35][CH:48]1[CH:50]([CH2:39][CH:49]2[CH:47]([CH2:34][CH2:6][CH2:4][CH3:2])[O:67]2)[O:68]1)=[O:60])[O:66][C:54]([CH:46]([CH2:33][CH2:24][CH2:13][CH2:9][CH2:8][CH2:12][CH:20]=[CH:29][CH:42]([CH:30]=[CH:21][CH2:18][CH2:19][CH2:28][CH2:38][OH:55])[OH:56])[OH:59])=[O:63])[OH:58])[OH:62])[OH:57] |
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