| Properties | Image |
|---|
| MNX_ID | MNXM1317987 |
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| reference | envipathM:...076a6fc03440 |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | UUFYHQFPBHGNBK-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-4-6-32-47-50(72-47)39-51-48(73-51)33-23-15-13-17-25-35-53(63)69-40-44(71-55(65)37-26-16-12-10-8-7-9-11-14-21-30-43(59)28-5-2)41-70-54(64)36-27-19-22-31-46(60)56(66)57-49(74-57)34-24-18-20-29-42(3)45(58(67)68)38-52(61)62/h9,11,21,30,42-51,56-57,59-60,66H,4-8,10,12-20,22-29,31-41H2,1-3H3,(H,61,62)(H,67,68)/p-2 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCC(O)C(O)C1OC1CCCCCC(C)C(CC(=O)[O-])C(=O)[O-])OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-4-6-32-47-50(72-47)39-51-48(73-51)33-23-15-13-17-25-35-53(63)69-40-44(71-55(65)37-26-16-12-10-8-7-9-11-14-21-30-43(59)28-5-2)41-70-54(64)36-27-19-22-31-46(60)56(66)57-49(74-57)34-24-18-20-29-42(3)45(58(67)68)38-52(61)62/h9,11,21,30,42-51,56-57,59-60,66H,4-8,10,12-20,22-29,31-41H2,1-3H3,(H,61,62)(H,67,68)/b11-9?,30-21?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,56?,57? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:32][CH:47]1[CH:50]([CH2:39][CH:51]2[CH:48]([CH2:33][CH2:23][CH2:15][CH2:13][CH2:17][CH2:25][CH2:35][C:53](=[O:63])[O:69][CH2:40][CH:44]([CH2:41][O:70][C:54]([CH2:36][CH2:27][CH2:19][CH2:22][CH2:31][CH:46]([CH:56]([CH:57]3[CH:49]([CH2:34][CH2:24][CH2:18][CH2:20][CH2:29][CH:42]([CH3:3])[CH:45]([CH2:38][C:52](=[O:61])[OH:62])[C:58](=[O:67])[OH:68])[O:74]3)[OH:66])[OH:60])=[O:64])[O:71][C:55]([CH2:37][CH2:26][CH2:16][CH2:12][CH2:10][CH2:8][CH2:7][CH:9]=[CH:11][CH2:14][CH:21]=[CH:30][CH:43]([CH2:28][CH2:5][CH3:2])[OH:59])=[O:65])[O:73]2)[O:72]1 |
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