| Properties | Image |
|---|
| MNX_ID | MNXM125785 |
 |
| reference | hmdb:HMDB0033397 |
| formula | C30H53NO11 |
| global charge | 0 |
| mol weight | 603.75 |
| InChIKey | QROJNSDGLZKJGS-UHFFFAOYSA-N |
| InChI | InChI=1S/C30H53NO11/c1-6-7-10-19(3)29(39)26(42-28(38)16-22(30(40)41)15-27(36)37)14-18(2)13-23(33)11-8-9-12-24(34)17-25(35)20(4)31-21(5)32/h18-20,22-26,33-35H,6-17H2,1-5H3,(H,31,32)(H,36,37)(H,40,41) |
| SMILES | CCCCC(C)C(=O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)NC(C)=O)OC(=O)CC(CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C30H53NO11/c1-6-7-10-19(3)29(39)26(42-28(38)16-22(30(40)41)15-27(36)37)14-18(2)13-23(33)11-8-9-12-24(34)17-25(35)20(4)31-21(5)32/h18-20,22-26,33-35H,6-17H2,1-5H3,(H,31,32)(H,36,37)(H,40,41)/t18?,19?,20?,22?,23?,24?,25?,26? |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:10][CH:19]([CH3:3])[C:29]([CH:26]([CH2:14][CH:18]([CH3:2])[CH2:13][CH:23]([CH2:11][CH2:8][CH2:9][CH2:12][CH:24]([CH2:17][CH:25]([CH:20]([CH3:4])[N:31]=[C:21]([CH3:5])[OH:32])[OH:35])[OH:34])[OH:33])[O:42][C:28]([CH2:16][CH:22]([CH2:15][C:27](=[O:36])[OH:37])[C:30](=[O:40])[OH:41])=[O:38])=[O:39] |
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