| Properties | Image |
|---|
| MNX_ID | MNXM45394 |
 |
| reference | keggC:C17907 |
| formula | C35H34N2O8 |
| global charge | 0 |
| mol weight | 610.663 |
| InChIKey | KTJXNTJMKBMZKA-LQJZCPKCSA-N |
| InChI | InChI=1S/C35H34N2O8/c1-45-31-18-23-16-27(34(43)36-14-12-20-2-7-24(38)8-3-20)33(35(44)37-15-13-21-4-9-25(39)10-5-21)32(26(23)19-30(31)42)22-6-11-28(40)29(41)17-22/h2-11,16-19,32-33,38-42H,12-15H2,1H3,(H,36,43)(H,37,44)/t32-,33-/m0/s1 |
| SMILES | COC1=C(O)C=C2C(=C1)C=C(C(=O)NCCC1=CC=C(O)C=C1)[C@H](C(=O)NCCC1=CC=C(O)C=C1)[C@H]2C1=CC(O)=C(O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C35H34N2O8/c1-45-31-18-23-16-27(34(43)36-14-12-20-2-7-24(38)8-3-20)33(35(44)37-15-13-21-4-9-25(39)10-5-21)32(26(23)19-30(31)42)22-6-11-28(40)29(41)17-22/h2-11,16-19,32-33,38-42H,12-15H2,1H3,(H,36,43)(H,37,44)/t32-,33-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:45][C:31]1=[C:30]([OH:42])[CH:19]=[C:26]2[C:23](=[CH:18]1)[CH:16]=[C:27]([C:34]([NH:36][CH2:14][CH2:12][C:20]1=[CH:3][CH:8]=[C:24]([OH:38])[CH:7]=[CH:2]1)=[O:43])[C@H:33]([C:35](=[N:37][CH2:15][CH2:13][C:21]1=[CH:5][CH:10]=[C:25]([OH:39])[CH:9]=[CH:4]1)[OH:44])[C@H:32]2[C:22]1=[CH:17][C:29]([OH:41])=[C:28]([OH:40])[CH:11]=[CH:6]1 |
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