| Properties | Image |
|---|
| MNX_ID | MNXM17578 |
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| reference | metacycM:CPD-12262 |
| formula | C75H132O11 |
| global charge | 0 |
| mol weight | 1209.87 |
| InChIKey | BKCYEXYNNMDIJI-PNCSVTASSA-N |
| InChI | InChI=1S/C75H132O11/c76-65-57-49-41-33-25-17-9-1-5-13-21-29-37-45-53-61-72(79)83-67-59-51-43-35-27-19-11-3-7-15-23-31-39-47-55-63-74(81)85-70-71(69-78)86-75(82)64-56-48-40-32-24-16-8-4-12-20-28-36-44-52-60-68-84-73(80)62-54-46-38-30-22-14-6-2-10-18-26-34-42-50-58-66-77/h1-8,18,20,26,28,71,76-78H,9-17,19,21-25,27,29-70H2/b5-1-,6-2-,7-3-,8-4-,26-18-,28-20-/t71-/m0/s1 |
| SMILES | O=C(CCCCCCC/C=C\C/C=C\CCCCCO)OCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C75H132O11/c76-65-57-49-41-33-25-17-9-1-5-13-21-29-37-45-53-61-72(79)83-67-59-51-43-35-27-19-11-3-7-15-23-31-39-47-55-63-74(81)85-70-71(69-78)86-75(82)64-56-48-40-32-24-16-8-4-12-20-28-36-44-52-60-68-84-73(80)62-54-46-38-30-22-14-6-2-10-18-26-34-42-50-58-66-77/h1-8,18,20,26,28,71,76-78H,9-17,19,21-25,27,29-70H2/b5-1-,6-2-,7-3-,8-4-,26-18-,28-20-/t71-/m0/s1 |
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| SMILES (mnx) | [CH:1](=[CH:5]\[CH2:13][CH2:21][CH2:29][CH2:37][CH2:45][CH2:53][CH2:61][C:72](=[O:79])[O:83][CH2:67][CH2:59][CH2:51][CH2:43][CH2:35][CH2:27][CH2:19][CH2:11]/[CH:3]=[CH:7]\[CH2:15][CH2:23][CH2:31][CH2:39][CH2:47][CH2:55][CH2:63][C:74](=[O:81])[O:85][CH2:70][C@H:71]([CH2:69][OH:78])[O:86][C:75]([CH2:64][CH2:56][CH2:48][CH2:40][CH2:32][CH2:24][CH2:16]/[CH:8]=[CH:4]\[CH2:12]/[CH:20]=[CH:28]\[CH2:36][CH2:44][CH2:52][CH2:60][CH2:68][O:84][C:73]([CH2:62][CH2:54][CH2:46][CH2:38][CH2:30][CH2:22][CH2:14]/[CH:6]=[CH:2]\[CH2:10]/[CH:18]=[CH:26]\[CH2:34][CH2:42][CH2:50][CH2:58][CH2:66][OH:77])=[O:80])=[O:82])\[CH2:9][CH2:17][CH2:25][CH2:33][CH2:41][CH2:49][CH2:57][CH2:65][OH:76] |
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