| Properties | Image |
|---|
| MNX_ID | MNXM1186946 |
 |
| reference | envipathM:...97a52f3deb60 |
| formula | C31H30N3O10 |
| global charge | -1 |
| mol weight | 604.592 |
| InChIKey | FOEFKVSHAPZEJW-UHFFFAOYSA-M |
| InChI | InChI=1S/C31H31N3O10/c1-2-31(42,28(38)39)17-20-3-9-24(10-4-20)33-29(40)43-16-15-26(36)18-44-30(41)34-25-13-7-22(8-14-25)27(37)21-5-11-23(12-6-21)32-19-35/h2-14,26-27,36-37,42H,1,15-18H2,(H,33,40)(H,34,41)(H,38,39)/p-1 |
| SMILES | C=CC(O)(CC1=CC=C(NC(=O)OCCC(O)COC(=O)NC2=CC=C(C(O)C3=CC=C(N=C=O)C=C3)C=C2)C=C1)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C31H31N3O10/c1-2-31(42,28(38)39)17-20-3-9-24(10-4-20)33-29(40)43-16-15-26(36)18-44-30(41)34-25-13-7-22(8-14-25)27(37)21-5-11-23(12-6-21)32-19-35/h2-14,26-27,36-37,42H,1,15-18H2,(H,33,40)(H,34,41)(H,38,39)/t26?,27?,31? |
 |
| SMILES (mnx) | [CH2:1]=[CH:2][C:31]([CH2:17][C:20]1=[CH:4][CH:10]=[C:24]([NH:33][C:29](=[O:40])[O:43][CH2:16][CH2:15][CH:26]([CH2:18][O:44][C:30]([NH:34][C:25]2=[CH:14][CH:8]=[C:22]([CH:27]([C:21]3=[CH:6][CH:12]=[C:23]([N:32]=[C:19]=[O:35])[CH:11]=[CH:5]3)[OH:37])[CH:7]=[CH:13]2)=[O:41])[OH:36])[CH:9]=[CH:3]1)([C:28](=[O:38])[OH:39])[OH:42] |
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