| Properties | Image |
|---|
| MNX_ID | MNXM1180451 |
 |
| reference | envipathM:...76414fb4a514 |
| formula | C29H52NO12 |
| global charge | -1 |
| mol weight | 606.73 |
| InChIKey | XLYOWOVHMLWSJC-ULQWJJCGSA-M |
| InChI | InChI=1S/C29H53NO12/c1-10-20(32)29(7,40)24(36)15(3)21(33)14(2)12-28(6,39)25(16(4)22(34)17(5)26(37)38)42-27-23(35)19(30(8)9)11-18(13-31)41-27/h14-20,23-25,27,31-32,35-36,39-40H,10-13H2,1-9H3,(H,37,38)/p-1/t14-,15+,16+,17-,18+,19+,20-,23-,24-,25-,27+,28-,29-/m1/s1 |
| SMILES | CC[C@@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]1O[C@H](CO)C[C@H](N(C)C)[C@H]1O)[C@@H](C)C(=O)[C@@H](C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C29H53NO12/c1-10-20(32)29(7,40)24(36)15(3)21(33)14(2)12-28(6,39)25(16(4)22(34)17(5)26(37)38)42-27-23(35)19(30(8)9)11-18(13-31)41-27/h14-20,23-25,27,31-32,35-36,39-40H,10-13H2,1-9H3,(H,37,38)/t14-,15+,16+,17-,18+,19+,20-,23-,24-,25-,27+,28-,29-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:10][C@H:20]([C@:29]([CH3:7])([C@@H:24]([C@@H:15]([CH3:3])[C:21]([C@H:14]([CH3:2])[CH2:12][C@:28]([CH3:6])([C@@H:25]([C@@H:16]([CH3:4])[C:22]([C@@H:17]([CH3:5])[C:26](=[O:37])[OH:38])=[O:34])[O:42][C@H:27]1[C@H:23]([OH:35])[C@@H:19]([N:30]([CH3:8])[CH3:9])[CH2:11][C@@H:18]([CH2:13][OH:31])[O:41]1)[OH:39])=[O:33])[OH:36])[OH:40])[OH:32] |
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