| Properties | Image |
|---|
| MNX_ID | MNXM168369 |
 |
| reference | metacycM:CPD-11450 |
| formula | C46H66O7 |
| global charge | 0 |
| mol weight | 731.027 |
| InChIKey | MUCOHWBULSBLLZ-CSVPCJNNSA-N |
| InChI | InChI=1S/C46H66O7/c1-31(17-12-13-18-32(2)20-15-23-34(4)25-27-39-36(6)29-38(47)30-45(39,8)9)19-14-21-33(3)22-16-24-35(5)26-28-40(46(10,11)51)53-44-43(50)42(49)41(48)37(7)52-44/h12-28,37-38,40-44,47-51H,29-30H2,1-11H3/b13-12+,19-14+,20-15+,22-16+,27-25+,28-26+,31-17+,32-18+,33-21+,34-23+,35-24+/t37-,38?,40?,41+,42+,43-,44-/m0/s1 |
| SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/C(O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C(C)(C)O)C(C)(C)CC(O)C1 |
MNX internals
| InChI (mnx) | InChI=1/C46H66O7/c1-31(17-12-13-18-32(2)20-15-23-34(4)25-27-39-36(6)29-38(47)30-45(39,8)9)19-14-21-33(3)22-16-24-35(5)26-28-40(46(10,11)51)53-44-43(50)42(49)41(48)37(7)52-44/h12-28,37-38,40-44,47-51H,29-30H2,1-11H3/b13-12+,19-14+,20-15+,22-16+,27-25+,28-26+,31-17+,32-18+,33-21+,34-23+,35-24+/t37-,38?,40?,41+,42+,43-,44-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:31](=[CH:17]\[CH:12]=[CH:13]\[CH:18]=[C:32]([CH3:2])\[CH:20]=[CH:15]\[CH:23]=[C:34]([CH3:4])\[CH:25]=[CH:27]\[C:39]1=[C:36]([CH3:6])[CH2:29][CH:38]([OH:47])[CH2:30][C:45]1([CH3:8])[CH3:9])/[CH:19]=[CH:14]/[CH:21]=[C:33]([CH3:3])/[CH:22]=[CH:16]/[CH:24]=[C:35]([CH3:5])/[CH:26]=[CH:28]/[CH:40]([C:46]([CH3:10])([CH3:11])[OH:51])[O:53][C@H:44]1[C@@H:43]([OH:50])[C@H:42]([OH:49])[C@H:41]([OH:48])[C@H:37]([CH3:7])[O:52]1 |
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