| Properties | Image |
|---|
| MNX_ID | MNXM1364477 |
 |
| reference | seedM:cpd01476 |
| formula | C34H32N4O4 |
| global charge | -2 |
| mol weight | 560.654 |
| InChIKey | ZCFFYALKHPIRKJ-UJJXFSCMSA-L |
| InChI | InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- |
| SMILES | C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)[O-])C(CCC(=O)[O-])=C4C)c(C)c3C=C |
MNX internals
| InChI (mnx) | InChI=1/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- |
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| SMILES (mnx) | [CH2:1]=[CH:7][c:21]1[c:17]([CH3:3])[c:25]2[cH:13][c:26]3[n:37][c:31]([cH:16][c:32]4[n:38][c:28]([cH:15][c:30]5[c:22]([CH:8]=[CH2:2])[c:18]([CH3:4])[c:27]([cH:14][c:29]1[nH:35]2)[nH:36]5)[C:20]([CH3:6])=[C:24]4[CH2:10][CH2:12][C:34](=[O:41])[OH:42])[C:23]([CH2:9][CH2:11][C:33](=[O:39])[OH:40])=[C:19]3[CH3:5] |
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