| Properties | Image |
|---|
| MNX_ID | MNXM148209 |
 |
| reference | metacycM:CPD-17498 |
| formula | C41H63O14 |
| global charge | -1 |
| mol weight | 779.941 |
| InChIKey | FEELLIANAFEQOD-OSWIZVGZSA-M |
| InChI | InChI=1S/C41H64O14/c1-26-16-14-12-10-8-6-4-5-7-9-11-13-15-17-29(42)22-36-38(40(51)52)35(48)25-41(53,55-36)24-34(47)33(46)19-18-30(43)20-31(44)21-32(45)23-37(49)54-28(3)27(2)39(26)50/h4-5,7,9-17,26-36,38-39,42-48,50,53H,6,8,18-25H2,1-3H3,(H,51,52)/p-1/b5-4+,9-7+,12-10+,13-11+,16-14+,17-15+/t26-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36-,38+,39+,41+/m0/s1 |
| SMILES | C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/CC/C=C/C=C/C=C/C=C/[C@H](O)C[C@@H]2O[C@](O)(C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C41H64O14/c1-26-16-14-12-10-8-6-4-5-7-9-11-13-15-17-29(42)22-36-38(40(51)52)35(48)25-41(53,55-36)24-34(47)33(46)19-18-30(43)20-31(44)21-32(45)23-37(49)54-28(3)27(2)39(26)50/h4-5,7,9-17,26-36,38-39,42-48,50,53H,6,8,18-25H2,1-3H3,(H,51,52)/b5-4+,9-7+,12-10+,13-11+,16-14+,17-15+/t26-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36-,38+,39+,41+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:26]1/[CH:16]=[CH:14]/[CH:12]=[CH:10]/[CH2:8][CH2:6]/[CH:4]=[CH:5]/[CH:7]=[CH:9]/[CH:11]=[CH:13]/[CH:15]=[CH:17]/[C@H:29]([OH:42])[CH2:22][C@H:36]2[C@H:38]([C:40](=[O:51])[OH:52])[C@@H:35]([OH:48])[CH2:25][C@@:41]([OH:53])([CH2:24][C@@H:34]([OH:47])[C@H:33]([OH:46])[CH2:19][CH2:18][C@@H:30]([OH:43])[CH2:20][C@@H:31]([OH:44])[CH2:21][C@@H:32]([OH:45])[CH2:23][C:37](=[O:49])[O:54][C@@H:28]([CH3:3])[C@H:27]([CH3:2])[C@@H:39]1[OH:50])[O:55]2 |
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