| Properties | Image |
|---|
| MNX_ID | MNXM32551 |
 |
| reference | metacycM:CPD-8317 |
| formula | C45H80O10 |
| global charge | 0 |
| mol weight | 781.125 |
| InChIKey | WJVJJQWZSIYMIV-RQOIEFAZSA-N |
| InChI | InChI=1S/C45H80O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,38-39,42-46,49-51H,3-11,13,15-16,21-37H2,1-2H3/b14-12-,19-17-,20-18- |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC1OC(CO)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C45H80O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,38-39,42-46,49-51H,3-11,13,15-16,21-37H2,1-2H3/b14-12-,19-17-,20-18-/t38?,39?,42?,43?,44?,45? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:40](=[O:47])[O:52][CH2:36][CH:38]([CH2:37][O:53][CH:45]1[CH:44]([OH:51])[CH:43]([OH:50])[CH:42]([OH:49])[CH:39]([CH2:35][OH:46])[O:55]1)[O:54][C:41]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:48] |
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