| Properties | Image |
|---|
| MNX_ID | MNXM1138909 |
 |
| reference | envipathM:...6490f39e2af1 |
| formula | C29H37N2O12 |
| global charge | -1 |
| mol weight | 605.617 |
| InChIKey | ROJBSXSWKFWRAG-UHFFFAOYSA-M |
| InChI | InChI=1S/C29H38N2O12/c32-12-3-4-14-42-28(39)30-21-9-7-8-19(16-21)26(37)20-17-22(27(38)23(33)18-20)31-29(40)43-15-6-5-13-41-25(36)11-2-1-10-24(34)35/h7-9,16-18,26,32-33,37-38H,1-6,10-15H2,(H,30,39)(H,31,40)(H,34,35)/p-1 |
| SMILES | O=C([O-])CCCCC(=O)OCCCCOC(=O)NC1=CC(C(O)C2=CC=CC(NC(=O)OCCCCO)=C2)=CC(O)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C29H38N2O12/c32-12-3-4-14-42-28(39)30-21-9-7-8-19(16-21)26(37)20-17-22(27(38)23(33)18-20)31-29(40)43-15-6-5-13-41-25(36)11-2-1-10-24(34)35/h7-9,16-18,26,32-33,37-38H,1-6,10-15H2,(H,30,39)(H,31,40)(H,34,35)/t26? |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:11][C:25](=[O:36])[O:41][CH2:13][CH2:5][CH2:6][CH2:15][O:43][C:29](=[N:31][C:22]1=[C:27]([OH:38])[C:23]([OH:33])=[CH:18][C:20]([CH:26]([C:19]2=[CH:16][C:21]([N:30]=[C:28]([OH:39])[O:42][CH2:14][CH2:4][CH2:3][CH2:12][OH:32])=[CH:9][CH:7]=[CH:8]2)[OH:37])=[CH:17]1)[OH:40])[CH2:10][C:24](=[O:34])[OH:35] |
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