| Properties | Image |
|---|
| MNX_ID | MNXM1173371 |
 |
| reference | envipathM:...c3c031ca0764 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | VBDNNNGRKSXYEM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-9-14-21-29-44(57)53(62)54(63)45(58)30-22-19-26-34-51(60)65-40-43(66-52(61)35-25-17-12-10-11-15-20-28-42(56)37-36-41(55)27-6-3)39-64-50(59)33-24-18-13-16-23-32-47-49(68-47)38-48-46(67-48)31-8-5-2/h14,20-21,28,36-37,41-49,53-58,62-63H,4-13,15-19,22-27,29-35,38-40H2,1-3H3 |
| SMILES | CCCCC=CCC(O)C(O)C(O)C(O)CCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CC(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-9-14-21-29-44(57)53(62)54(63)45(58)30-22-19-26-34-51(60)65-40-43(66-52(61)35-25-17-12-10-11-15-20-28-42(56)37-36-41(55)27-6-3)39-64-50(59)33-24-18-13-16-23-32-47-49(68-47)38-48-46(67-48)31-8-5-2/h14,20-21,28,36-37,41-49,53-58,62-63H,4-13,15-19,22-27,29-35,38-40H2,1-3H3/b21-14?,28-20?,37-36?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:14]=[CH:21][CH2:29][CH:44]([CH:53]([CH:54]([CH:45]([CH2:30][CH2:22][CH2:19][CH2:26][CH2:34][C:51](=[O:60])[O:65][CH2:40][CH:43]([CH2:39][O:64][C:50]([CH2:33][CH2:24][CH2:18][CH2:13][CH2:16][CH2:23][CH2:32][CH:47]1[CH:49]([CH2:38][CH:48]2[CH:46]([CH2:31][CH2:8][CH2:5][CH3:2])[O:67]2)[O:68]1)=[O:59])[O:66][C:52]([CH2:35][CH2:25][CH2:17][CH2:12][CH2:10][CH2:11][CH2:15][CH:20]=[CH:28][CH:42]([CH:37]=[CH:36][CH:41]([CH2:27][CH2:6][CH3:3])[OH:55])[OH:56])=[O:61])[OH:58])[OH:63])[OH:62])[OH:57] |
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