| Properties | Image |
|---|
| MNX_ID | MNXM1179618 |
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| reference | envipathM:...cecc1902817e |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | SZLSPHUZXAJOQD-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-4-6-8-23-32-45(60)56-48(74-56)35-25-15-11-17-27-37-52(62)70-41-44(40-69-51(61)36-26-16-10-14-24-34-47-50(73-47)39-49-46(72-49)33-7-5-2)71-53(63)38-28-19-18-22-31-43(59)30-21-13-9-12-20-29-42(3)54(57(65)66)55(64)58(67)68/h21,23,30,32,42-50,54-56,59-60,64H,4-20,22,24-29,31,33-41H2,1-3H3,(H,65,66)(H,67,68)/p-2 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCC(O)C=CCCCCCC(C)C(C(=O)[O-])C(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-4-6-8-23-32-45(60)56-48(74-56)35-25-15-11-17-27-37-52(62)70-41-44(40-69-51(61)36-26-16-10-14-24-34-47-50(73-47)39-49-46(72-49)33-7-5-2)71-53(63)38-28-19-18-22-31-43(59)30-21-13-9-12-20-29-42(3)54(57(65)66)55(64)58(67)68/h21,23,30,32,42-50,54-56,59-60,64H,4-20,22,24-29,31,33-41H2,1-3H3,(H,65,66)(H,67,68)/b30-21?,32-23?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54?,55?,56? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:23]=[CH:32][CH:45]([CH:56]1[CH:48]([CH2:35][CH2:25][CH2:15][CH2:11][CH2:17][CH2:27][CH2:37][C:52](=[O:62])[O:70][CH2:41][CH:44]([CH2:40][O:69][C:51]([CH2:36][CH2:26][CH2:16][CH2:10][CH2:14][CH2:24][CH2:34][CH:47]2[CH:50]([CH2:39][CH:49]3[CH:46]([CH2:33][CH2:7][CH2:5][CH3:2])[O:72]3)[O:73]2)=[O:61])[O:71][C:53]([CH2:38][CH2:28][CH2:19][CH2:18][CH2:22][CH2:31][CH:43]([CH:30]=[CH:21][CH2:13][CH2:9][CH2:12][CH2:20][CH2:29][CH:42]([CH3:3])[CH:54]([CH:55]([C:58](=[O:67])[OH:68])[OH:64])[C:57](=[O:65])[OH:66])[OH:59])=[O:63])[O:74]1)[OH:60] |
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