| Properties | Image |
|---|
| MNX_ID | MNXM1181241 |
 |
| reference | envipathM:...a99869d4d046 |
| formula | C33H31N3O11 |
| global charge | 0 |
| mol weight | 645.621 |
| InChIKey | JUXYXIKLHNEIKX-UHFFFAOYSA-N |
| InChI | InChI=1S/C33H31N3O11/c37-18-34-23-8-1-19(2-9-23)30(42)20-3-10-24(11-4-20)35-32(44)46-16-28(40)29(41)17-47-33(45)36-25-12-5-21(6-13-25)31(43)22-7-14-26(38)27(39)15-22/h1-15,28-31,38-43H,16-17H2,(H,35,44)(H,36,45) |
| SMILES | O=C=NC1=CC=C(C(O)C2=CC=C(NC(=O)OCC(O)C(O)COC(=O)NC3=CC=C(C(O)C4=CC=C(O)C(O)=C4)C=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C33H31N3O11/c37-18-34-23-8-1-19(2-9-23)30(42)20-3-10-24(11-4-20)35-32(44)46-16-28(40)29(41)17-47-33(45)36-25-12-5-21(6-13-25)31(43)22-7-14-26(38)27(39)15-22/h1-15,28-31,38-43H,16-17H2,(H,35,44)(H,36,45)/t28?,29?,30?,31? |
 |
| SMILES (mnx) | [CH:1]1=[CH:8][C:23]([N:34]=[C:18]=[O:37])=[CH:9][CH:2]=[C:19]1[CH:30]([C:20]1=[CH:4][CH:11]=[C:24]([NH:35][C:32](=[O:44])[O:46][CH2:16][CH:28]([CH:29]([CH2:17][O:47][C:33]([NH:36][C:25]2=[CH:13][CH:6]=[C:21]([CH:31]([C:22]3=[CH:15][C:27]([OH:39])=[C:26]([OH:38])[CH:14]=[CH:7]3)[OH:43])[CH:5]=[CH:12]2)=[O:45])[OH:41])[OH:40])[CH:10]=[CH:3]1)[OH:42] |
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