| Properties | Image |
|---|
| MNX_ID | MNXM62692 |
 |
| reference | chebi:80019 |
| formula | C29H47NO7 |
| global charge | 0 |
| mol weight | 521.695 |
| InChIKey | HREUKRQZLNMEFQ-KMWMHNJKSA-N |
| InChI | InChI=1S/C29H47NO7/c1-8-25-22(17-31)11-9-10-12-24(32)19(3)15-20(4)28(18(2)13-14-26(33)36-25)37-29-27(34)23(30(6)7)16-21(5)35-29/h9-14,18-23,25,27-29,31,34H,8,15-17H2,1-7H3/b11-9+,12-10+,14-13+/t18-,19+,20-,21+,22+,23-,25+,27+,28+,29-/m0/s1 |
| SMILES | CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/C=C/[C@@H]1CO |
MNX internals
| InChI (mnx) | InChI=1/C29H47NO7/c1-8-25-22(17-31)11-9-10-12-24(32)19(3)15-20(4)28(18(2)13-14-26(33)36-25)37-29-27(34)23(30(6)7)16-21(5)35-29/h9-14,18-23,25,27-29,31,34H,8,15-17H2,1-7H3/b11-9+,12-10+,14-13+/t18-,19+,20-,21+,22+,23-,25+,27+,28+,29-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][C@@H:25]1[C@@H:22]([CH2:17][OH:31])/[CH:11]=[CH:9]/[CH:10]=[CH:12]/[C:24](=[O:32])[C@H:19]([CH3:3])[CH2:15][C@H:20]([CH3:4])[C@H:28]([O:37][C@H:29]2[C@H:27]([OH:34])[C@@H:23]([N:30]([CH3:6])[CH3:7])[CH2:16][C@@H:21]([CH3:5])[O:35]2)[C@@H:18]([CH3:2])/[CH:13]=[CH:14]/[C:26](=[O:33])[O:36]1 |
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