| Properties | Image |
|---|
| MNX_ID | MNXM1185427 |
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| reference | envipathM:...a09c87f3b442 |
| formula | C33H30N4O9 |
| global charge | 0 |
| mol weight | 626.622 |
| InChIKey | UBEKUGAJZGBAIR-UHFFFAOYSA-N |
| InChI | InChI=1S/C33H30N4O9/c34-23-7-1-22(2-8-23)16-27-29(40)17-28(31(42)30(27)41)37-33(44)45-14-13-26(39)18-46-32(43)36-25-11-5-21(6-12-25)15-20-3-9-24(10-4-20)35-19-38/h1-12,17,40-42H,13-16,18,34H2,(H,36,43)(H,37,44) |
| SMILES | NC1=CC=C(CC2=C(O)C(O)=C(NC(=O)OCCC(=O)COC(=O)NC3=CC=C(CC4=CC=C(N=C=O)C=C4)C=C3)C=C2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C33H30N4O9/c34-23-7-1-22(2-8-23)16-27-29(40)17-28(31(42)30(27)41)37-33(44)45-14-13-26(39)18-46-32(43)36-25-11-5-21(6-12-25)15-20-3-9-24(10-4-20)35-19-38/h1-12,17,40-42H,13-16,18,34H2,(H,36,43)(H,37,44) |
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| SMILES (mnx) | [CH:1]1=[CH:7][C:23]([NH2:34])=[CH:8][CH:2]=[C:22]1[CH2:16][C:27]1=[C:29]([OH:40])[CH:17]=[C:28]([N:37]=[C:33]([OH:44])[O:45][CH2:14][CH2:13][C:26]([CH2:18][O:46][C:32]([NH:36][C:25]2=[CH:12][CH:6]=[C:21]([CH2:15][C:20]3=[CH:4][CH:10]=[C:24]([N:35]=[C:19]=[O:38])[CH:9]=[CH:3]3)[CH:5]=[CH:11]2)=[O:43])=[O:39])[C:31]([OH:42])=[C:30]1[OH:41] |
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