| Properties | Image |
|---|
| MNX_ID | MNXM12889 |
 |
| reference | keggC:C16271 |
| formula | C46H66O7 |
| global charge | 0 |
| mol weight | 731.027 |
| InChIKey | KMCAYUSNEOYNIP-GFHGTIOLSA-N |
| InChI | InChI=1S/C46H66O7/c1-34(2)18-12-20-36(4)22-14-24-37(5)23-13-21-35(3)19-10-11-29-40(32-47)30-16-27-38(6)25-15-26-39(7)28-17-31-46(8,9)53-45-44(51)43(50)42(49)41(33-48)52-45/h10-11,13-16,18-19,21-27,29-30,32,41-45,48-51H,12,17,20,28,31,33H2,1-9H3/b11-10+,21-13+,24-14+,25-15+,30-16+,35-19+,36-22+,37-23+,38-27+,39-26+,40-29+/t41-,42-,43+,44-,45+/m1/s1 |
| SMILES | CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C=O)\C=C\C=C(C)\C=C\C=C(/C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C46H66O7/c1-34(2)18-12-20-36(4)22-14-24-37(5)23-13-21-35(3)19-10-11-29-40(32-47)30-16-27-38(6)25-15-26-39(7)28-17-31-46(8,9)53-45-44(51)43(50)42(49)41(33-48)52-45/h10-11,13-16,18-19,21-27,29-30,32,41-45,48-51H,12,17,20,28,31,33H2,1-9H3/b11-10+,21-13+,24-14+,25-15+,30-16+,35-19+,36-22+,37-23+,38-27+,39-26+,40-29+/t41-,42-,43+,44-,45+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:34]([CH3:2])=[CH:18][CH2:12][CH2:20]/[C:36]([CH3:4])=[CH:22]/[CH:14]=[CH:24]/[C:37]([CH3:5])=[CH:23]/[CH:13]=[CH:21]/[C:35]([CH3:3])=[CH:19]/[CH:10]=[CH:11]/[CH:29]=[C:40](\[CH:30]=[CH:16]\[CH:27]=[C:38]([CH3:6])\[CH:25]=[CH:15]\[CH:26]=[C:39](/[CH3:7])[CH2:28][CH2:17][CH2:31][C:46]([CH3:8])([CH3:9])[O:53][C@H:45]1[C@H:44]([OH:51])[C@@H:43]([OH:50])[C@H:42]([OH:49])[C@@H:41]([CH2:33][OH:48])[O:52]1)[CH:32]=[O:47] |
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