| Properties | Image |
|---|
| MNX_ID | MNXM1186506 |
 |
| reference | envipathM:...7920bf251ac3 |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | INBBRKDLFKJFGG-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-3-4-32-50-52(73-50)40-53-51(74-53)34-23-19-18-21-31-47(61)58(68)70-42-45(41-69-55(64)36-24-17-13-15-22-33-48-49(72-48)35-26-29-44(60)30-27-38-59)71-56(65)37-25-16-12-10-8-6-5-7-9-11-14-20-28-43(2)46(57(66)67)39-54(62)63/h5,7,26,29,43-53,59-61H,3-4,6,8-25,27-28,30-42H2,1-2H3,(H,62,63)(H,66,67)/p-2 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCCO)OC(=O)CCCCCCCC=CCCCCCC(C)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-3-4-32-50-52(73-50)40-53-51(74-53)34-23-19-18-21-31-47(61)58(68)70-42-45(41-69-55(64)36-24-17-13-15-22-33-48-49(72-48)35-26-29-44(60)30-27-38-59)71-56(65)37-25-16-12-10-8-6-5-7-9-11-14-20-28-43(2)46(57(66)67)39-54(62)63/h5,7,26,29,43-53,59-61H,3-4,6,8-25,27-28,30-42H2,1-2H3,(H,62,63)(H,66,67)/b7-5?,29-26?/t43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:32][CH:50]1[CH:52]([CH2:40][CH:53]2[CH:51]([CH2:34][CH2:23][CH2:19][CH2:18][CH2:21][CH2:31][CH:47]([C:58](=[O:68])[O:70][CH2:42][CH:45]([CH2:41][O:69][C:55]([CH2:36][CH2:24][CH2:17][CH2:13][CH2:15][CH2:22][CH2:33][CH:48]3[CH:49]([CH2:35][CH:26]=[CH:29][CH:44]([CH2:30][CH2:27][CH2:38][OH:59])[OH:60])[O:72]3)=[O:64])[O:71][C:56]([CH2:37][CH2:25][CH2:16][CH2:12][CH2:10][CH2:8][CH2:6][CH:5]=[CH:7][CH2:9][CH2:11][CH2:14][CH2:20][CH2:28][CH:43]([CH3:2])[CH:46]([CH2:39][C:54](=[O:62])[OH:63])[C:57](=[O:66])[OH:67])=[O:65])[OH:61])[O:74]2)[O:73]1 |
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